N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H29FN8O2 — CID 137449196

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449196) has the molecular formula C24H29FN8O2 and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449196
• Molecular Formula: C24H29FN8O2
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.24
• IUPAC Name: N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccc(N3CCC4(CCCO4)CC3)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C24H29FN8O2/c1-26-21-13-19(31-22-15(14-27-33(21)22)23(34)28-17-12-16(17)25)29-18-4-2-5-20(30-18)32-9-7-24(8-10-32)6-3-11-35-24/h2,4-5,13-14,16-17,26H,3,6-12H2,1H3,(H,28,34)(H,29,30,31)/t16-,17+/m1/s1
• InChIKey: KPFJWUXCEOJNFK-SJORKVTESA-N
• XLogP: 2.90
• TPSA: 108.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449196) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc(N3CCC4(CCCO4)CC3)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.

What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KPFJWUXCEOJNFK-SJORKVTESA-N. The full InChI is InChI=1S/C24H29FN8O2/c1-26-21-13-19(31-22-15(14-27-33(21)22)23(34)28-17-12-16(17)25)29-18-4-2-5-20(30-18)32-9-7-24(8-10-32)6-3-11-35-24/h2,4-5,13-14,16-17,26H,3,6-12H2,1H3,(H,28,34)(H,29,30,31)/t16-,17+/m1/s1.

What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).