(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride

C25H27ClN4O2 — CID 44522313

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1noc(C)c1C(=O)N1CCCC(c2[nH]c3c(C)cccc3c2-c2ccncc2)C1.Cl
InChIInChI=1S/C25H26N4O2.ClH/c1-15-6-4-8-20-22(18-9-11-26-12-10-18)24(27-23(15)20)19-7-5-13-29(14-19)25(30)21-16(2)28-31-17(21)3;/h4,6,8-12,19,27H,5,7,13-14H2,1-3H3;1H
InChIKeyLHIYVRAESNFCAS-UHFFFAOYSA-N
MW450.97 g/mol
LogP5.58
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 44522313) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
PubChem CID44522313
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1noc(C)c1C(=O)N1CCCC(c2[nH]c3c(C)cccc3c2-c2ccncc2)C1.Cl
InChIInChI=1S/C25H26N4O2.ClH/c1-15-6-4-8-20-22(18-9-11-26-12-10-18)24(27-23(15)20)19-7-5-13-29(14-19)25(30)21-16(2)28-31-17(21)3;/h4,6,8-12,19,27H,5,7,13-14H2,1-3H3;1H
InChIKeyLHIYVRAESNFCAS-UHFFFAOYSA-N
XLogP5.58
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(3-methylisoxazol-5-yl)-1H-indole-7-carboxamide
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CID 24792447
3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24983174
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2060921
1-pyridin-2-yl-2-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylcarbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190015
3-methyl-5-(pyridin-4-ylmethylamino)-N-(quinolin-3-yl)isoxazole-4-carboxamide
CID 44439511
[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 44534234
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(3,5-dimethylisoxazol-4-yl)phenyl)methanone
CID 46880813
N'-(1H-indol-3-ylmethylene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135411415
US10660877, Example 686
CID 134329236
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 44522314
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56658923

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride (CID 44522313) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride is Cc1noc(C)c1C(=O)N1CCCC(c2[nH]c3c(C)cccc3c2-c2ccncc2)C1.Cl.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is LHIYVRAESNFCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2.ClH/c1-15-6-4-8-20-22(18-9-11-26-12-10-18)24(27-23(15)20)19-7-5-13-29(14-19)25(30)21-16(2)28-31-17(21)3;/h4,6,8-12,19,27H,5,7,13-14H2,1-3H3;1H.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 450.97 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 44522313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).