N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H26FN9O2 — CID 146383372

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383372) has the molecular formula C23H26FN9O2 and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146383372
• Molecular Formula: C23H26FN9O2
• Molecular Weight: 479.52 g/mol
• Exact Mass: 479.22
• IUPAC Name: N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2nn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C23H26FN9O2/c1-25-19-12-18(28-22-15(13-27-33(19)22)23(34)29-17-11-16(17)24)20-14-3-2-4-26-21(14)32(30-20)6-5-31-7-9-35-10-8-31/h2-4,12-13,16-17,25H,5-11H2,1H3,(H,29,34)/t16-,17+/m1/s1
• InChIKey: IKBCNOQKERIBPC-SJORKVTESA-N
• XLogP: 1.36
• TPSA: 114.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.52
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383372) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2nn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.

What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IKBCNOQKERIBPC-SJORKVTESA-N. The full InChI is InChI=1S/C23H26FN9O2/c1-25-19-12-18(28-22-15(13-27-33(19)22)23(34)29-17-11-16(17)24)20-14-3-2-4-26-21(14)32(30-20)6-5-31-7-9-35-10-8-31/h2-4,12-13,16-17,25H,5-11H2,1H3,(H,29,34)/t16-,17+/m1/s1.

What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).