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

C27H35FN6O4 — CID 163295396

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

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163295396) has the molecular formula C27H35FN6O4 and a molecular weight of 526.61 g/mol. Its IUPAC name is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-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-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 163295396
• Molecular Formula: C27H35FN6O4
• Molecular Weight: 526.61 g/mol
• Exact Mass: 526.27
• IUPAC Name: (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCN([C@H]5CCCOC5)C4)CC34CC4)[nH]n2)c(F)cn1
• InChI: InChI=1S/C27H35FN6O4/c1-37-24-11-20(21(28)14-29-24)22-12-23(32-31-22)26(36)34-9-4-17(13-27(34)6-7-27)25(35)30-18-5-8-33(15-18)19-3-2-10-38-16-19/h11-12,14,17-19H,2-10,13,15-16H2,1H3,(H,30,35)(H,31,32)/t17-,18+,19-/m0/s1
• InChIKey: NRBVGZMWPDKXIX-OTWHNJEPSA-N
• XLogP: 2.37
• TPSA: 112.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.61
LogP ≤ 5	2.37
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-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-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-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide (CID 163295396) is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-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-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-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-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCN([C@H]5CCCOC5)C4)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-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is NRBVGZMWPDKXIX-OTWHNJEPSA-N. The full InChI is InChI=1S/C27H35FN6O4/c1-37-24-11-20(21(28)14-29-24)22-12-23(32-31-22)26(36)34-9-4-17(13-27(34)6-7-27)25(35)30-18-5-8-33(15-18)19-3-2-10-38-16-19/h11-12,14,17-19H,2-10,13,15-16H2,1H3,(H,30,35)(H,31,32)/t17-,18+,19-/m0/s1.

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

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 526.61 g/mol, XLogP of 2.37, 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-[(3R)-1-[(3S)-oxan-3-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163295396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).