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

C26H34FN7O4 — CID 163295289

About (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3S)-1-[(5R)-1,3-oxazinan-5-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-[(3S)-1-[(5R)-1,3-oxazinan-5-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163295289) has the molecular formula C26H34FN7O4 and a molecular weight of 527.60 g/mol. Its IUPAC name is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3S)-1-[(5R)-1,3-oxazinan-5-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-[(3S)-1-[(5R)-1,3-oxazinan-5-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 163295289
• Molecular Formula: C26H34FN7O4
• Molecular Weight: 527.60 g/mol
• Exact Mass: 527.27
• IUPAC Name: (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3S)-1-[(5R)-1,3-oxazinan-5-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]5CNCOC5)C4)CC34CC4)[nH]n2)c(F)cn1
• InChI: InChI=1S/C26H34FN7O4/c1-37-23-8-19(20(27)12-29-23)21-9-22(32-31-21)25(36)34-7-2-16(10-26(34)4-5-26)24(35)30-17-3-6-33(13-17)18-11-28-15-38-14-18/h8-9,12,16-18,28H,2-7,10-11,13-15H2,1H3,(H,30,35)(H,31,32)/t16-,17-,18+/m0/s1
• InChIKey: ZPEAIBHEUOQTJP-OKZBNKHCSA-N
• XLogP: 1.14
• TPSA: 124.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.60
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3S)-1-[(5R)-1,3-oxazinan-5-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-[(3S)-1-[(5R)-1,3-oxazinan-5-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide (CID 163295289) is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3S)-1-[(5R)-1,3-oxazinan-5-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-[(3S)-1-[(5R)-1,3-oxazinan-5-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-[(3S)-1-[(5R)-1,3-oxazinan-5-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]5CNCOC5)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-[(3S)-1-[(5R)-1,3-oxazinan-5-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is ZPEAIBHEUOQTJP-OKZBNKHCSA-N. The full InChI is InChI=1S/C26H34FN7O4/c1-37-23-8-19(20(27)12-29-23)21-9-22(32-31-21)25(36)34-7-2-16(10-26(34)4-5-26)24(35)30-17-3-6-33(13-17)18-11-28-15-38-14-18/h8-9,12,16-18,28H,2-7,10-11,13-15H2,1H3,(H,30,35)(H,31,32)/t16-,17-,18+/m0/s1.

What are the key properties of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3S)-1-[(5R)-1,3-oxazinan-5-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-[(3S)-1-[(5R)-1,3-oxazinan-5-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 527.60 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 8 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-[(3S)-1-[(5R)-1,3-oxazinan-5-yl]pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163295289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).