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

C22H22FN9O2 — CID 137449129

IUPAC5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccn(C4CC4)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H22FN9O2/c1-24-19-10-17(28-20-13(11-25-32(19)20)21(33)27-16-9-14(16)23)26-15-3-2-7-30(22(15)34)18-6-8-31(29-18)12-4-5-12/h2-3,6-8,10-12,14,16,24H,4-5,9H2,1H3,(H,26,28)(H,27,33)/t14-,16+/m1/s1
InChIKeyIJZLBXUYBUKVOC-ZBFHGGJFSA-N
MW463.48 g/mol
LogP2.04
Rot. Bonds7

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

5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449129) has the molecular formula C22H22FN9O2 and a molecular weight of 463.48 g/mol. Its IUPAC name is 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449129
Molecular FormulaC22H22FN9O2
Molecular Weight463.48 g/mol
Exact Mass463.19
IUPAC Name5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccn(C4CC4)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H22FN9O2/c1-24-19-10-17(28-20-13(11-25-32(19)20)21(33)27-16-9-14(16)23)26-15-3-2-7-30(22(15)34)18-6-8-31(29-18)12-4-5-12/h2-3,6-8,10-12,14,16,24H,4-5,9H2,1H3,(H,26,28)(H,27,33)/t14-,16+/m1/s1
InChIKeyIJZLBXUYBUKVOC-ZBFHGGJFSA-N
XLogP2.04
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-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-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449129) is 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccn(C4CC4)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IJZLBXUYBUKVOC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C22H22FN9O2/c1-24-19-10-17(28-20-13(11-25-32(19)20)21(33)27-16-9-14(16)23)26-15-3-2-7-30(22(15)34)18-6-8-31(29-18)12-4-5-12/h2-3,6-8,10-12,14,16,24H,4-5,9H2,1H3,(H,26,28)(H,27,33)/t14-,16+/m1/s1.
What are the key properties of 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 463.48 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).