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

C19H22FN5O3 — CID 167064924

IUPAC4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)ncc3F)n[nH]2)C2(CC2)C1
InChIInChI=1S/C19H22FN5O3/c1-21-17(26)11-3-6-25(19(9-11)4-5-19)18(27)15-8-14(23-24-15)12-7-16(28-2)22-10-13(12)20/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyPNZWDPIMWAIYIK-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.75
Rot. Bonds4

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

4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 167064924) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID167064924
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)ncc3F)n[nH]2)C2(CC2)C1
InChIInChI=1S/C19H22FN5O3/c1-21-17(26)11-3-6-25(19(9-11)4-5-19)18(27)15-8-14(23-24-15)12-7-16(28-2)22-10-13(12)20/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyPNZWDPIMWAIYIK-UHFFFAOYSA-N
XLogP1.75
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide (CID 167064924) is 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide is CNC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)ncc3F)n[nH]2)C2(CC2)C1.
What is the InChIKey of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is PNZWDPIMWAIYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-21-17(26)11-3-6-25(19(9-11)4-5-19)18(27)15-8-14(23-24-15)12-7-16(28-2)22-10-13(12)20/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,26)(H,23,24).
What are the key properties of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide?
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 167064924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).