N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H19F2N9O2 — CID 137449368

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(-c3ccn(C)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H19F2N9O2/c1-23-17-7-15(27-18-11(8-24-31(17)18)19(32)26-13-6-12(13)22)25-14-5-10(21)9-30(20(14)33)16-3-4-29(2)28-16/h3-5,7-9,12-13,23H,6H2,1-2H3,(H,25,27)(H,26,32)/t12-,13+/m1/s1
InChIKeyKURKFNPCCUPSEC-OLZOCXBDSA-N
MW455.43 g/mol
LogP1.38
Rot. Bonds6

About N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449368) has the molecular formula C20H19F2N9O2 and a molecular weight of 455.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449368
Molecular FormulaC20H19F2N9O2
Molecular Weight455.43 g/mol
Exact Mass455.16
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(-c3ccn(C)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H19F2N9O2/c1-23-17-7-15(27-18-11(8-24-31(17)18)19(32)26-13-6-12(13)22)25-14-5-10(21)9-30(20(14)33)16-3-4-29(2)28-16/h3-5,7-9,12-13,23H,6H2,1-2H3,(H,25,27)(H,26,32)/t12-,13+/m1/s1
InChIKeyKURKFNPCCUPSEC-OLZOCXBDSA-N
XLogP1.38
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-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 N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449368) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cn(-c3ccn(C)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KURKFNPCCUPSEC-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H19F2N9O2/c1-23-17-7-15(27-18-11(8-24-31(17)18)19(32)26-13-6-12(13)22)25-14-5-10(21)9-30(20(14)33)16-3-4-29(2)28-16/h3-5,7-9,12-13,23H,6H2,1-2H3,(H,25,27)(H,26,32)/t12-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).