N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide

C25H24N6O2 — CID 118607182

IUPACN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)c4ccn[nH]4)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C25H24N6O2/c1-25(2)13-18-21(19(32)14-25)23(28-16-6-4-3-5-7-16)22(29-18)15-8-10-26-20(12-15)30-24(33)17-9-11-27-31-17/h3-12,28-29H,13-14H2,1-2H3,(H,27,31)(H,26,30,33)
InChIKeyFHLIZLGUGCVSJV-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.95
Rot. Bonds5

About N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide

N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide (PubChem CID 118607182) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide
PubChem CID118607182
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)c4ccn[nH]4)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C25H24N6O2/c1-25(2)13-18-21(19(32)14-25)23(28-16-6-4-3-5-7-16)22(29-18)15-8-10-26-20(12-15)30-24(33)17-9-11-27-31-17/h3-12,28-29H,13-14H2,1-2H3,(H,27,31)(H,26,30,33)
InChIKeyFHLIZLGUGCVSJV-UHFFFAOYSA-N
XLogP4.95
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide (CID 118607182) is N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide is CC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)c4ccn[nH]4)c3)c2Nc2ccccc2)C1.
What is the InChIKey of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FHLIZLGUGCVSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-25(2)13-18-21(19(32)14-25)23(28-16-6-4-3-5-7-16)22(29-18)15-8-10-26-20(12-15)30-24(33)17-9-11-27-31-17/h3-12,28-29H,13-14H2,1-2H3,(H,27,31)(H,26,30,33).
What are the key properties of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118607182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).