1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C24H24N4O — CID 95213634

IUPAC1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C24H24N4O/c1-16-8-10-17(11-9-16)20-14-25-27-23(20)19-6-4-12-28(15-19)24(29)22-13-18-5-2-3-7-21(18)26-22/h2-3,5,7-11,13-14,19,26H,4,6,12,15H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyWMMBGWBGUGYVNF-IBGZPJMESA-N
MW384.48 g/mol
LogP4.89
Rot. Bonds3

About 1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 95213634) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID95213634
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C24H24N4O/c1-16-8-10-17(11-9-16)20-14-25-27-23(20)19-6-4-12-28(15-19)24(29)22-13-18-5-2-3-7-21(18)26-22/h2-3,5,7-11,13-14,19,26H,4,6,12,15H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyWMMBGWBGUGYVNF-IBGZPJMESA-N
XLogP4.89
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-yl-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95213633
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56756479
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
(5-hydroxy-2-pyridinyl)-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56740484
1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95189827
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
(2-cyclopropylpyrimidin-5-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95223415
2-methyl-5-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-4-one
CID 95200554
2-hydroxy-2-methyl-1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 56746262
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95208493
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95205309

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 95213634) is 1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of 1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is WMMBGWBGUGYVNF-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-8-10-17(11-9-16)20-14-25-27-23(20)19-6-4-12-28(15-19)24(29)22-13-18-5-2-3-7-21(18)26-22/h2-3,5,7-11,13-14,19,26H,4,6,12,15H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of 1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95213634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).