(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one

C23H29N5O — CID 92603216

IUPAC(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one
SMILESCc1cc(C)n(C[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n1
InChIInChI=1S/C23H29N5O/c1-15(13-28-17(3)11-16(2)26-28)23(29)27-10-6-8-19(14-27)22-20(24)12-18-7-4-5-9-21(18)25-22/h4-5,7,9,11-12,15,19H,6,8,10,13-14,24H2,1-3H3/t15-,19-/m0/s1
InChIKeyXPAQDHBWVKKGED-KXBFYZLASA-N
MW391.52 g/mol
LogP3.67
Rot. Bonds4

About (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one

(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one (PubChem CID 92603216) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one
PubChem CID92603216
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one
SMILESCc1cc(C)n(C[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n1
InChIInChI=1S/C23H29N5O/c1-15(13-28-17(3)11-16(2)26-28)23(29)27-10-6-8-19(14-27)22-20(24)12-18-7-4-5-9-21(18)25-22/h4-5,7,9,11-12,15,19H,6,8,10,13-14,24H2,1-3H3/t15-,19-/m0/s1
InChIKeyXPAQDHBWVKKGED-KXBFYZLASA-N
XLogP3.67
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
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1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
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4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
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(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one
CID 110222612
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238262
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 110220124
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 92583939
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone;dihydrochloride
CID 119592882
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one?
The IUPAC name of (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one (CID 92603216) is (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one?
The canonical SMILES for (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one is Cc1cc(C)n(C[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n1.
What is the InChIKey of (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one?
The InChIKey is XPAQDHBWVKKGED-KXBFYZLASA-N. The full InChI is InChI=1S/C23H29N5O/c1-15(13-28-17(3)11-16(2)26-28)23(29)27-10-6-8-19(14-27)22-20(24)12-18-7-4-5-9-21(18)25-22/h4-5,7,9,11-12,15,19H,6,8,10,13-14,24H2,1-3H3/t15-,19-/m0/s1.
What are the key properties of (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one?
(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one has a molecular weight of 391.52 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 92603216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).