(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide

C27H29FN6O4 — CID 175578033

About (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 175578033) has the molecular formula C27H29FN6O4 and a molecular weight of 520.57 g/mol. Its IUPAC name is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 175578033
• Molecular Formula: C27H29FN6O4
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.22
• IUPAC Name: (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NC4CCOc5ccc(C)nc54)CC34CC4)[nH]n2)c(F)cn1
• InChI: InChI=1S/C27H29FN6O4/c1-15-3-4-22-24(30-15)19(6-10-38-22)31-25(35)16-5-9-34(27(13-16)7-8-27)26(36)21-12-20(32-33-21)17-11-23(37-2)29-14-18(17)28/h3-4,11-12,14,16,19H,5-10,13H2,1-2H3,(H,31,35)(H,32,33)/t16-,19?/m0/s1
• InChIKey: COGHREOCAWFHJH-UCFFOFKASA-N
• XLogP: 3.35
• TPSA: 122.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide?

The IUPAC name of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide (CID 175578033) is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide.

What is the SMILES notation for (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide?

The canonical SMILES for (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NC4CCOc5ccc(C)nc54)CC34CC4)[nH]n2)c(F)cn1.

What is the InChIKey of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is COGHREOCAWFHJH-UCFFOFKASA-N. The full InChI is InChI=1S/C27H29FN6O4/c1-15-3-4-22-24(30-15)19(6-10-38-22)31-25(35)16-5-9-34(27(13-16)7-8-27)26(36)21-12-20(32-33-21)17-11-23(37-2)29-14-18(17)28/h3-4,11-12,14,16,19H,5-10,13H2,1-2H3,(H,31,35)(H,32,33)/t16-,19?/m0/s1.

What are the key properties of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide?

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 520.57 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 175578033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).