5-[[1-[1-(2-cyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H28FN9O2 — CID 137449944

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

5-[[1-[1-(2-cyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449944) has the molecular formula C24H28FN9O2 and a molecular weight of 493.55 g/mol. Its IUPAC name is 5-[[1-[1-(2-cyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-[1-(2-cyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449944
• Molecular Formula: C24H28FN9O2
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.23
• IUPAC Name: 5-[[1-[1-(2-cyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCN(CCC#N)CC3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C24H28FN9O2/c1-27-21-13-20(31-22-16(14-28-34(21)22)23(35)30-19-12-17(19)25)29-18-4-2-9-33(24(18)36)15-5-10-32(11-6-15)8-3-7-26/h2,4,9,13-15,17,19,27H,3,5-6,8,10-12H2,1H3,(H,29,31)(H,30,35)/t17-,19+/m1/s1
• InChIKey: QRHHLXULIIFQNN-MJGOQNOKSA-N
• XLogP: 2.07
• TPSA: 132.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[1-(2-cyanoethyl)piperidin-4-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-(2-cyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449944) is 5-[[1-[1-(2-cyanoethyl)piperidin-4-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-(2-cyanoethyl)piperidin-4-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-(2-cyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCN(CCC#N)CC3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.

What is the InChIKey of 5-[[1-[1-(2-cyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is QRHHLXULIIFQNN-MJGOQNOKSA-N. The full InChI is InChI=1S/C24H28FN9O2/c1-27-21-13-20(31-22-16(14-28-34(21)22)23(35)30-19-12-17(19)25)29-18-4-2-9-33(24(18)36)15-5-10-32(11-6-15)8-3-7-26/h2,4,9,13-15,17,19,27H,3,5-6,8,10-12H2,1H3,(H,29,31)(H,30,35)/t17-,19+/m1/s1.

What are the key properties of 5-[[1-[1-(2-cyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[[1-[1-(2-cyanoethyl)piperidin-4-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 493.55 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[1-(2-cyanoethyl)piperidin-4-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 137449944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).