5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23F2N7O4 — CID 137450336

IUPAC5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@H]3COC[C@H]3O)cnn12
InChIInChI=1S/C21H23F2N7O4/c1-24-17-5-16(26-13-3-2-4-29(20(13)33)11-6-21(22,23)7-11)28-18-12(8-25-30(17)18)19(32)27-14-9-34-10-15(14)31/h2-5,8,11,14-15,24,31H,6-7,9-10H2,1H3,(H,26,28)(H,27,32)/t14-,15+/m0/s1
InChIKeyPCLDQCGKKVVDDE-LSDHHAIUSA-N
MW475.46 g/mol
LogP1.14
Rot. Bonds6

About 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450336) has the molecular formula C21H23F2N7O4 and a molecular weight of 475.46 g/mol. Its IUPAC name is 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450336
Molecular FormulaC21H23F2N7O4
Molecular Weight475.46 g/mol
Exact Mass475.18
IUPAC Name5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@H]3COC[C@H]3O)cnn12
InChIInChI=1S/C21H23F2N7O4/c1-24-17-5-16(26-13-3-2-4-29(20(13)33)11-6-21(22,23)7-11)28-18-12(8-25-30(17)18)19(32)27-14-9-34-10-15(14)31/h2-5,8,11,14-15,24,31H,6-7,9-10H2,1H3,(H,26,28)(H,27,32)/t14-,15+/m0/s1
InChIKeyPCLDQCGKKVVDDE-LSDHHAIUSA-N
XLogP1.14
TPSA134.81 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450336) is 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@H]3COC[C@H]3O)cnn12.
What is the InChIKey of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PCLDQCGKKVVDDE-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H23F2N7O4/c1-24-17-5-16(26-13-3-2-4-29(20(13)33)11-6-21(22,23)7-11)28-18-12(8-25-30(17)18)19(32)27-14-9-34-10-15(14)31/h2-5,8,11,14-15,24,31H,6-7,9-10H2,1H3,(H,26,28)(H,27,32)/t14-,15+/m0/s1.
What are the key properties of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).