2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide

C25H24N8O — CID 155548345

IUPAC2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc3c(-c4nc(Nc5cnn(C)c5)ncc4C)c[nH]c23)c(C)n1
InChIInChI=1S/C25H24N8O/c1-14-10-27-25(30-17-11-28-33(4)13-17)32-22(14)20-12-26-23-19(20)6-5-7-21(23)31-24(34)18-9-8-15(2)29-16(18)3/h5-13,26H,1-4H3,(H,31,34)(H,27,30,32)
InChIKeyZWZPVJXSWZWJLP-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.67
Rot. Bonds5

About 2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide

2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide (PubChem CID 155548345) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide
PubChem CID155548345
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc3c(-c4nc(Nc5cnn(C)c5)ncc4C)c[nH]c23)c(C)n1
InChIInChI=1S/C25H24N8O/c1-14-10-27-25(30-17-11-28-33(4)13-17)32-22(14)20-12-26-23-19(20)6-5-7-21(23)31-24(34)18-9-8-15(2)29-16(18)3/h5-13,26H,1-4H3,(H,31,34)(H,27,30,32)
InChIKeyZWZPVJXSWZWJLP-UHFFFAOYSA-N
XLogP4.67
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide (CID 155548345) is 2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc3c(-c4nc(Nc5cnn(C)c5)ncc4C)c[nH]c23)c(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide?
The InChIKey is ZWZPVJXSWZWJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-14-10-27-25(30-17-11-28-33(4)13-17)32-22(14)20-12-26-23-19(20)6-5-7-21(23)31-24(34)18-9-8-15(2)29-16(18)3/h5-13,26H,1-4H3,(H,31,34)(H,27,30,32).
What are the key properties of 2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide?
2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155548345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).