2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile

C21H23N5O3S — CID 10434458

IUPAC2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc(C3C(=O)Nc4ccc(C#N)cc43)nc2)CC1
InChIInChI=1S/C21H23N5O3S/c1-14(2)25-7-9-26(10-8-25)30(28,29)16-4-6-19(23-13-16)20-17-11-15(12-22)3-5-18(17)24-21(20)27/h3-6,11,13-14,20H,7-10H2,1-2H3,(H,24,27)
InChIKeyNULGHQKSLULIMX-UHFFFAOYSA-N
MW425.51 g/mol
LogP1.75
Rot. Bonds4

About 2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile

2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile (PubChem CID 10434458) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile
PubChem CID10434458
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc(C3C(=O)Nc4ccc(C#N)cc43)nc2)CC1
InChIInChI=1S/C21H23N5O3S/c1-14(2)25-7-9-26(10-8-25)30(28,29)16-4-6-19(23-13-16)20-17-11-15(12-22)3-5-18(17)24-21(20)27/h3-6,11,13-14,20H,7-10H2,1-2H3,(H,24,27)
InChIKeyNULGHQKSLULIMX-UHFFFAOYSA-N
XLogP1.75
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-(1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 10076767
3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile
CID 56948376
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile
CID 135442674
3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one
CID 20927230
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
tert-butyl 2-(5-cyano-2-oxo-1,3-dihydroindol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 66823325
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
2-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 43584968
5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614764
2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 24682385
4-(2,5-difluorophenoxy)-3-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzonitrile;hydrochloride
CID 142764862
2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile
CID 118145957

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile?
The IUPAC name of 2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile (CID 10434458) is 2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile.
What is the SMILES notation for 2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile?
The canonical SMILES for 2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile is CC(C)N1CCN(S(=O)(=O)c2ccc(C3C(=O)Nc4ccc(C#N)cc43)nc2)CC1.
What is the InChIKey of 2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile?
The InChIKey is NULGHQKSLULIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-14(2)25-7-9-26(10-8-25)30(28,29)16-4-6-19(23-13-16)20-17-11-15(12-22)3-5-18(17)24-21(20)27/h3-6,11,13-14,20H,7-10H2,1-2H3,(H,24,27).
What are the key properties of 2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile?
2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile has a molecular weight of 425.51 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,3-dihydroindole-5-carbonitrile is sourced from PubChem (CID 10434458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).