1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one

C25H29N5O3 — CID 92597097

IUPAC1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one
SMILESCOc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)CCCc4ccncc4)C3)c2N)cc1
InChIInChI=1S/C25H29N5O3/c1-33-21-9-7-20(8-10-21)30-25(26)22(16-28-30)24(32)19-5-3-15-29(17-19)23(31)6-2-4-18-11-13-27-14-12-18/h7-14,16,19H,2-6,15,17,26H2,1H3/t19-/m1/s1
InChIKeyFFWWLPNNQXYQMQ-LJQANCHMSA-N
MW447.54 g/mol
LogP3.30
Rot. Bonds8

About 1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one

1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one (PubChem CID 92597097) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one
PubChem CID92597097
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one
SMILESCOc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)CCCc4ccncc4)C3)c2N)cc1
InChIInChI=1S/C25H29N5O3/c1-33-21-9-7-20(8-10-21)30-25(26)22(16-28-30)24(32)19-5-3-15-29(17-19)23(31)6-2-4-18-11-13-27-14-12-18/h7-14,16,19H,2-6,15,17,26H2,1H3/t19-/m1/s1
InChIKeyFFWWLPNNQXYQMQ-LJQANCHMSA-N
XLogP3.30
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3S)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-(1,2-oxazol-5-yl)propan-1-one
CID 92597106
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 92610978
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 92605607
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 92610733
1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548944
1-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110239695
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 92589335
1-[(3S)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92558455
1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 92558500
1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45168811
1-[(3S)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92603392
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone
CID 110239771

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one?
The IUPAC name of 1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one (CID 92597097) is 1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one.
What is the SMILES notation for 1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one?
The canonical SMILES for 1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one is COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)CCCc4ccncc4)C3)c2N)cc1.
What is the InChIKey of 1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one?
The InChIKey is FFWWLPNNQXYQMQ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-33-21-9-7-20(8-10-21)30-25(26)22(16-28-30)24(32)19-5-3-15-29(17-19)23(31)6-2-4-18-11-13-27-14-12-18/h7-14,16,19H,2-6,15,17,26H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one?
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one has a molecular weight of 447.54 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 92597097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).