7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C57H64N14O6 — CID 162244779

IUPAC7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CC(OC)C3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.COC1CC(n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)NC5CC[C@@H]5OC)c4n3)c3cccnc32)C1
InChIInChI=1S/C32H35N7O3.C25H29N7O3/c1-37(18-20-8-5-4-6-9-20)29-16-27(25-19-38(21-14-22(15-21)41-2)30-23(25)10-7-13-33-30)35-31-24(17-34-39(29)31)32(40)36-26-11-12-28(26)42-3;1-26-22-11-20(18-13-31(14-9-15(10-14)34-2)23-16(18)5-4-8-27-23)29-24-17(12-28-32(22)24)25(33)30-19-6-7-21(19)35-3/h4-10,13,16-17,19,21-22,26,28H,11-12,14-15,18H2,1-3H3,(H,36,40);4-5,8,11-15,19,21,26H,6-7,9-10H2,1-3H3,(H,30,33)/t21?,22?,26?,28-;14?,15?,19?,21-/m00/s1
InChIKeyZXELINPOSRDVCV-MISSHBRUSA-N
MW1041.23 g/mol
LogP7.68
Rot. Bonds16

About 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162244779) has the molecular formula C57H64N14O6 and a molecular weight of 1041.23 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID162244779
Molecular FormulaC57H64N14O6
Molecular Weight1041.23 g/mol
Exact Mass1040.51
IUPAC Name7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CC(OC)C3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.COC1CC(n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)NC5CC[C@@H]5OC)c4n3)c3cccnc32)C1
InChIInChI=1S/C32H35N7O3.C25H29N7O3/c1-37(18-20-8-5-4-6-9-20)29-16-27(25-19-38(21-14-22(15-21)41-2)30-23(25)10-7-13-33-30)35-31-24(17-34-39(29)31)32(40)36-26-11-12-28(26)42-3;1-26-22-11-20(18-13-31(14-9-15(10-14)34-2)23-16(18)5-4-8-27-23)29-24-17(12-28-32(22)24)25(33)30-19-6-7-21(19)35-3/h4-10,13,16-17,19,21-22,26,28H,11-12,14-15,18H2,1-3H3,(H,36,40);4-5,8,11-15,19,21,26H,6-7,9-10H2,1-3H3,(H,30,33)/t21?,22?,26?,28-;14?,15?,19?,21-/m00/s1
InChIKeyZXELINPOSRDVCV-MISSHBRUSA-N
XLogP7.68
TPSA206.41 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.23
LogP ≤ 57.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)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 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162244779) is 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C3CC(OC)C3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.COC1CC(n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)NC5CC[C@@H]5OC)c4n3)c3cccnc32)C1.
What is the InChIKey of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZXELINPOSRDVCV-MISSHBRUSA-N. The full InChI is InChI=1S/C32H35N7O3.C25H29N7O3/c1-37(18-20-8-5-4-6-9-20)29-16-27(25-19-38(21-14-22(15-21)41-2)30-23(25)10-7-13-33-30)35-31-24(17-34-39(29)31)32(40)36-26-11-12-28(26)42-3;1-26-22-11-20(18-13-31(14-9-15(10-14)34-2)23-16(18)5-4-8-27-23)29-24-17(12-28-32(22)24)25(33)30-19-6-7-21(19)35-3/h4-10,13,16-17,19,21-22,26,28H,11-12,14-15,18H2,1-3H3,(H,36,40);4-5,8,11-15,19,21,26H,6-7,9-10H2,1-3H3,(H,30,33)/t21?,22?,26?,28-;14?,15?,19?,21-/m00/s1.
What are the key properties of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1041.23 g/mol, XLogP of 7.68, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2S)-2-methoxycyclobutyl]-5-[1-(3-methoxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162244779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).