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

C26H35FN6O3 — CID 175578009

IUPAC4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CCCN(C)C4(C)C)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C26H35FN6O3/c1-25(2)21(6-5-10-32(25)3)29-23(34)16-7-11-33(26(14-16)8-9-26)24(35)20-13-19(30-31-20)17-12-22(36-4)28-15-18(17)27/h12-13,15-16,21H,5-11,14H2,1-4H3,(H,29,34)(H,30,31)
InChIKeyMTNSTQZUWKWTTP-UHFFFAOYSA-N
MW498.60 g/mol
LogP2.99
Rot. Bonds5

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

4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 175578009) has the molecular formula C26H35FN6O3 and a molecular weight of 498.60 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID175578009
Molecular FormulaC26H35FN6O3
Molecular Weight498.60 g/mol
Exact Mass498.28
IUPAC Name4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CCCN(C)C4(C)C)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C26H35FN6O3/c1-25(2)21(6-5-10-32(25)3)29-23(34)16-7-11-33(26(14-16)8-9-26)24(35)20-13-19(30-31-20)17-12-22(36-4)28-15-18(17)27/h12-13,15-16,21H,5-11,14H2,1-4H3,(H,29,34)(H,30,31)
InChIKeyMTNSTQZUWKWTTP-UHFFFAOYSA-N
XLogP2.99
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide (CID 175578009) is 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-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-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CCCN(C)C4(C)C)CC34CC4)[nH]n2)c(F)cn1.
What is the InChIKey of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is MTNSTQZUWKWTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN6O3/c1-25(2)21(6-5-10-32(25)3)29-23(34)16-7-11-33(26(14-16)8-9-26)24(35)20-13-19(30-31-20)17-12-22(36-4)28-15-18(17)27/h12-13,15-16,21H,5-11,14H2,1-4H3,(H,29,34)(H,30,31).
What are the key properties of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide?
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 498.60 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 175578009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).