(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide

C24H28FN7O3 — CID 169095026

About (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 169095026) has the molecular formula C24H28FN7O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(1-methyl-2H-pyrazin-2-yl)methyl]-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-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 169095026
• Molecular Formula: C24H28FN7O3
• Molecular Weight: 481.53 g/mol
• Exact Mass: 481.22
• IUPAC Name: (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCC4C=NC=CN4C)CC34CC4)[nH]n2)c(F)cn1
• InChI: InChI=1S/C24H28FN7O3/c1-31-8-6-26-12-16(31)13-28-22(33)15-3-7-32(24(11-15)4-5-24)23(34)20-10-19(29-30-20)17-9-21(35-2)27-14-18(17)25/h6,8-10,12,14-16H,3-5,7,11,13H2,1-2H3,(H,28,33)(H,29,30)/t15-,16?/m0/s1
• InChIKey: LQTJDFOLXMPINK-VYRBHSGPSA-N
• XLogP: 1.98
• TPSA: 115.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	1.98
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-[(1-methyl-2H-pyrazin-2-yl)methyl]-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-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 169095026) is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(1-methyl-2H-pyrazin-2-yl)methyl]-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-[(1-methyl-2H-pyrazin-2-yl)methyl]-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-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCC4C=NC=CN4C)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-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is LQTJDFOLXMPINK-VYRBHSGPSA-N. The full InChI is InChI=1S/C24H28FN7O3/c1-31-8-6-26-12-16(31)13-28-22(33)15-3-7-32(24(11-15)4-5-24)23(34)20-10-19(29-30-20)17-9-21(35-2)27-14-18(17)25/h6,8-10,12,14-16H,3-5,7,11,13H2,1-2H3,(H,28,33)(H,29,30)/t15-,16?/m0/s1.

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

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 1.98, 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-[(1-methyl-2H-pyrazin-2-yl)methyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 169095026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).