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

C26H26N6O2 — CID 118606948

IUPACN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cc(-c3[nH]c4c(c3Nc3ccccc3)C(=O)CC(C)(C)C4)ccn2)n1
InChIInChI=1S/C26H26N6O2/c1-26(2)14-19-22(20(33)15-26)24(28-17-7-5-4-6-8-17)23(29-19)16-9-11-27-21(13-16)30-25(34)18-10-12-32(3)31-18/h4-13,28-29H,14-15H2,1-3H3,(H,27,30,34)
InChIKeyOLXWJFUWWPALCG-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.96
Rot. Bonds5

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

N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide (PubChem CID 118606948) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide
PubChem CID118606948
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cc(-c3[nH]c4c(c3Nc3ccccc3)C(=O)CC(C)(C)C4)ccn2)n1
InChIInChI=1S/C26H26N6O2/c1-26(2)14-19-22(20(33)15-26)24(28-17-7-5-4-6-8-17)23(29-19)16-9-11-27-21(13-16)30-25(34)18-10-12-32(3)31-18/h4-13,28-29H,14-15H2,1-3H3,(H,27,30,34)
InChIKeyOLXWJFUWWPALCG-UHFFFAOYSA-N
XLogP4.96
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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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]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide (CID 118606948) is N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-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]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cc(-c3[nH]c4c(c3Nc3ccccc3)C(=O)CC(C)(C)C4)ccn2)n1.
What is the InChIKey of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is OLXWJFUWWPALCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-26(2)14-19-22(20(33)15-26)24(28-17-7-5-4-6-8-17)23(29-19)16-9-11-27-21(13-16)30-25(34)18-10-12-32(3)31-18/h4-13,28-29H,14-15H2,1-3H3,(H,27,30,34).
What are the key properties of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide?
N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118606948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).