N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C124H139F4N35O18 — CID 167663638

IUPACN-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(-c2cnc3n([C@H]4COC[C@@H]4O)cccc2-3)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cnc3n([C@H]4COC[C@@H]4O)cccc2-3)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12
InChIInChI=1S/3C26H31N7O4.2C23H23F2N7O3/c3*1-27-23-11-19(30-25-17(13-29-33(23)25)26(34)31-18-6-7-21(18)35-2)16-12-28-24-15(16)5-4-9-32(24)20-8-10-37-14-22(20)36-3;2*1-26-19-7-15(13-8-27-20-12(13)3-2-6-31(20)16-10-35-11-17(16)33)29-21-14(9-28-32(19)21)22(34)30-18-4-5-23(18,24)25/h3*4-5,9,11-13,18,20-22,27H,6-8,10,14H2,1-3H3,(H,31,34);2*2-3,6-9,16-18,26,33H,4-5,10-11H2,1H3,(H,30,34)/t18?,20-,21+,22-;18-,20+,21-,22+;18-,20-,21-,22-;16-,17-,18?;16-,17-,18-/m10100/s1
InChIKeySHVDHSVUQDGIJI-GUUQSGEVSA-N
MW2483.69 g/mol
LogP12.27
Rot. Bonds31

About N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167663638) has the molecular formula C124H139F4N35O18 and a molecular weight of 2483.69 g/mol. Its IUPAC name is N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167663638
Molecular FormulaC124H139F4N35O18
Molecular Weight2483.69 g/mol
Exact Mass2482.10
IUPAC NameN-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(-c2cnc3n([C@H]4COC[C@@H]4O)cccc2-3)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cnc3n([C@H]4COC[C@@H]4O)cccc2-3)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12
InChIInChI=1S/3C26H31N7O4.2C23H23F2N7O3/c3*1-27-23-11-19(30-25-17(13-29-33(23)25)26(34)31-18-6-7-21(18)35-2)16-12-28-24-15(16)5-4-9-32(24)20-8-10-37-14-22(20)36-3;2*1-26-19-7-15(13-8-27-20-12(13)3-2-6-31(20)16-10-35-11-17(16)33)29-21-14(9-28-32(19)21)22(34)30-18-4-5-23(18,24)25/h3*4-5,9,11-13,18,20-22,27H,6-8,10,14H2,1-3H3,(H,31,34);2*2-3,6-9,16-18,26,33H,4-5,10-11H2,1H3,(H,30,34)/t18?,20-,21+,22-;18-,20+,21-,22+;18-,20-,21-,22-;16-,17-,18?;16-,17-,18-/m10100/s1
InChIKeySHVDHSVUQDGIJI-GUUQSGEVSA-N
XLogP12.27
TPSA587.69 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds31
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002483.69
LogP ≤ 512.27
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167663638) is N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.CNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(-c2cnc3n([C@H]4COC[C@@H]4O)cccc2-3)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cnc3n([C@H]4COC[C@@H]4O)cccc2-3)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12.
What is the InChIKey of N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SHVDHSVUQDGIJI-GUUQSGEVSA-N. The full InChI is InChI=1S/3C26H31N7O4.2C23H23F2N7O3/c3*1-27-23-11-19(30-25-17(13-29-33(23)25)26(34)31-18-6-7-21(18)35-2)16-12-28-24-15(16)5-4-9-32(24)20-8-10-37-14-22(20)36-3;2*1-26-19-7-15(13-8-27-20-12(13)3-2-6-31(20)16-10-35-11-17(16)33)29-21-14(9-28-32(19)21)22(34)30-18-4-5-23(18,24)25/h3*4-5,9,11-13,18,20-22,27H,6-8,10,14H2,1-3H3,(H,31,34);2*2-3,6-9,16-18,26,33H,4-5,10-11H2,1H3,(H,30,34)/t18?,20-,21+,22-;18-,20+,21-,22+;18-,20-,21-,22-;16-,17-,18?;16-,17-,18-/m10100/s1.
What are the key properties of N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2483.69 g/mol, XLogP of 12.27, 31 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-difluorocyclobutyl]-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-5-[7-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167663638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).