(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide

C29H31FN6O4 — CID 163295613

About (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163295613) has the molecular formula C29H31FN6O4 and a molecular weight of 546.60 g/mol. Its IUPAC name is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-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-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 163295613
• Molecular Formula: C29H31FN6O4
• Molecular Weight: 546.60 g/mol
• Exact Mass: 546.24
• IUPAC Name: (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NC4CCC5(COC5)c5cccnc54)CC34CC4)[nH]n2)c(F)cn1
• InChI: InChI=1S/C29H31FN6O4/c1-39-24-11-18(20(30)14-32-24)22-12-23(35-34-22)27(38)36-10-5-17(13-29(36)7-8-29)26(37)33-21-4-6-28(15-40-16-28)19-3-2-9-31-25(19)21/h2-3,9,11-12,14,17,21H,4-8,10,13,15-16H2,1H3,(H,33,37)(H,34,35)/t17-,21?/m0/s1
• InChIKey: GVIGNXKZPVSLLW-PBVYKCSPSA-N
• XLogP: 3.32
• TPSA: 122.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.60
LogP ≤ 5	3.32
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-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-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-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide (CID 163295613) is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-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-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-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-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NC4CCC5(COC5)c5cccnc54)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-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is GVIGNXKZPVSLLW-PBVYKCSPSA-N. The full InChI is InChI=1S/C29H31FN6O4/c1-39-24-11-18(20(30)14-32-24)22-12-23(35-34-22)27(38)36-10-5-17(13-29(36)7-8-29)26(37)33-21-4-6-28(15-40-16-28)19-3-2-9-31-25(19)21/h2-3,9,11-12,14,17,21H,4-8,10,13,15-16H2,1H3,(H,33,37)(H,34,35)/t17-,21?/m0/s1.

What are the key properties of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide?

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 546.60 g/mol, XLogP of 3.32, 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-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163295613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).