(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone

C25H29N5O3S — CID 55604073

IUPAC(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1c(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cnn1-c1ccccn1
InChIInChI=1S/C25H29N5O3S/c1-18(2)24-21(17-27-30(24)23-8-4-5-12-26-23)25(31)29-15-11-19-16-20(9-10-22(19)29)34(32,33)28-13-6-3-7-14-28/h4-5,8-10,12,16-18H,3,6-7,11,13-15H2,1-2H3
InChIKeyTXLYAEFCPKNLSW-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.77
Rot. Bonds5

About (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone

(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 55604073) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
PubChem CID55604073
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1c(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cnn1-c1ccccn1
InChIInChI=1S/C25H29N5O3S/c1-18(2)24-21(17-27-30(24)23-8-4-5-12-26-23)25(31)29-15-11-19-16-20(9-10-22(19)29)34(32,33)28-13-6-3-7-14-28/h4-5,8-10,12,16-18H,3,6-7,11,13-15H2,1-2H3
InChIKeyTXLYAEFCPKNLSW-UHFFFAOYSA-N
XLogP3.77
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55759909
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55603851
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3238399
1-[6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 3241021
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438372
(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438542
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134030106
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 56572262

Frequently Asked Questions

What is the IUPAC name of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone (CID 55604073) is (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone is CC(C)c1c(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cnn1-c1ccccn1.
What is the InChIKey of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The InChIKey is TXLYAEFCPKNLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-18(2)24-21(17-27-30(24)23-8-4-5-12-26-23)25(31)29-15-11-19-16-20(9-10-22(19)29)34(32,33)28-13-6-3-7-14-28/h4-5,8-10,12,16-18H,3,6-7,11,13-15H2,1-2H3.
What are the key properties of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 479.61 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 55604073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).