(3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone

C26H29FN4O3 — CID 155092670

IUPAC(3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4cn[nH]c4)c(OC)c2)C3)cc1F
InChIInChI=1S/C26H29FN4O3/c1-33-23-6-3-18(13-22(23)27)25(32)30-10-7-26(8-11-30)9-12-31(17-26)20-4-5-21(24(14-20)34-2)19-15-28-29-16-19/h3-6,13-16H,7-12,17H2,1-2H3,(H,28,29)
InChIKeyPBPYUGVFAKZCIM-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.37
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone

(3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 155092670) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID155092670
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name(3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4cn[nH]c4)c(OC)c2)C3)cc1F
InChIInChI=1S/C26H29FN4O3/c1-33-23-6-3-18(13-22(23)27)25(32)30-10-7-26(8-11-30)9-12-31(17-26)20-4-5-21(24(14-20)34-2)19-15-28-29-16-19/h3-6,13-16H,7-12,17H2,1-2H3,(H,28,29)
InChIKeyPBPYUGVFAKZCIM-UHFFFAOYSA-N
XLogP4.37
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 155092670) is (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone is COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4cn[nH]c4)c(OC)c2)C3)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is PBPYUGVFAKZCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-33-23-6-3-18(13-22(23)27)25(32)30-10-7-26(8-11-30)9-12-31(17-26)20-4-5-21(24(14-20)34-2)19-15-28-29-16-19/h3-6,13-16H,7-12,17H2,1-2H3,(H,28,29).
What are the key properties of (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 464.54 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 155092670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).