5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide

C24H26N8O — CID 177283695

IUPAC5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1nc(-c2ccc(N3CCN(C)CC3)cc2)nc(C(N)=O)c1N
InChIInChI=1S/C24H26N8O/c1-14-3-8-18-17(13-27-30-18)19(14)21-20(25)22(23(26)33)29-24(28-21)15-4-6-16(7-5-15)32-11-9-31(2)10-12-32/h3-8,13H,9-12,25H2,1-2H3,(H2,26,33)(H,27,30)
InChIKeyNUDVIUFTOMSOBQ-UHFFFAOYSA-N
MW442.53 g/mol
LogP2.43
Rot. Bonds4

About 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide

5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 177283695) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID177283695
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1nc(-c2ccc(N3CCN(C)CC3)cc2)nc(C(N)=O)c1N
InChIInChI=1S/C24H26N8O/c1-14-3-8-18-17(13-27-30-18)19(14)21-20(25)22(23(26)33)29-24(28-21)15-4-6-16(7-5-15)32-11-9-31(2)10-12-32/h3-8,13H,9-12,25H2,1-2H3,(H2,26,33)(H,27,30)
InChIKeyNUDVIUFTOMSOBQ-UHFFFAOYSA-N
XLogP2.43
TPSA130.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-2-(3-cyanophenyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346800
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide
CID 177283645
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide
CID 177283432
ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate
CID 177283420
5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346531
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 177283554
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide
CID 177283615
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
CID 71115097
6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid
CID 170346575
4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide
CID 71765469
5-amino-6-(5-hydroxy-2-methylphenyl)-2-pyridin-4-ylpyrimidine-4-carboxamide
CID 177283512
3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
CID 177283595

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide (CID 177283695) is 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide is Cc1ccc2[nH]ncc2c1-c1nc(-c2ccc(N3CCN(C)CC3)cc2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is NUDVIUFTOMSOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-14-3-8-18-17(13-27-30-18)19(14)21-20(25)22(23(26)33)29-24(28-21)15-4-6-16(7-5-15)32-11-9-31(2)10-12-32/h3-8,13H,9-12,25H2,1-2H3,(H2,26,33)(H,27,30).
What are the key properties of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide?
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 442.53 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 177283695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).