(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide

C26H30FN7O3 — CID 175577951

About (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 175577951) has the molecular formula C26H30FN7O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-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-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 175577951
• Molecular Formula: C26H30FN7O3
• Molecular Weight: 507.57 g/mol
• Exact Mass: 507.24
• IUPAC Name: (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCC4CCn5cncc5C4)CC34CC4)[nH]n2)c(F)cn1
• InChI: InChI=1S/C26H30FN7O3/c1-37-23-9-19(20(27)14-29-23)21-10-22(32-31-21)25(36)34-7-3-17(11-26(34)4-5-26)24(35)30-12-16-2-6-33-15-28-13-18(33)8-16/h9-10,13-17H,2-8,11-12H2,1H3,(H,30,35)(H,31,32)/t16?,17-/m0/s1
• InChIKey: LIDBUILXRGUHPB-DJNXLDHESA-N
• XLogP: 2.58
• TPSA: 118.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.57
LogP ≤ 5	2.58
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-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-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-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide (CID 175577951) is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-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-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-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-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCC4CCn5cncc5C4)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-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is LIDBUILXRGUHPB-DJNXLDHESA-N. The full InChI is InChI=1S/C26H30FN7O3/c1-37-23-9-19(20(27)14-29-23)21-10-22(32-31-21)25(36)34-7-3-17(11-26(34)4-5-26)24(35)30-12-16-2-6-33-15-28-13-18(33)8-16/h9-10,13-17H,2-8,11-12H2,1H3,(H,30,35)(H,31,32)/t16?,17-/m0/s1.

What are the key properties of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide?

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 507.57 g/mol, XLogP of 2.58, 6 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-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 175577951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).