5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide

C22H22N6O — CID 177283432

IUPAC5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide
SMILESCCCc1ccccc1-c1nc(C(N)=O)c(N)c(-c2c(C)ccc3[nH]ncc23)n1
InChIInChI=1S/C22H22N6O/c1-3-6-13-7-4-5-8-14(13)22-26-19(18(23)20(27-22)21(24)29)17-12(2)9-10-16-15(17)11-25-28-16/h4-5,7-11H,3,6,23H2,1-2H3,(H2,24,29)(H,25,28)
InChIKeyUODQJAUQJMXNEX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.63
Rot. Bonds5

About 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide

5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide (PubChem CID 177283432) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide
PubChem CID177283432
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide
SMILESCCCc1ccccc1-c1nc(C(N)=O)c(N)c(-c2c(C)ccc3[nH]ncc23)n1
InChIInChI=1S/C22H22N6O/c1-3-6-13-7-4-5-8-14(13)22-26-19(18(23)20(27-22)21(24)29)17-12(2)9-10-16-15(17)11-25-28-16/h4-5,7-11H,3,6,23H2,1-2H3,(H2,24,29)(H,25,28)
InChIKeyUODQJAUQJMXNEX-UHFFFAOYSA-N
XLogP3.63
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide
CID 177283645
5-amino-2-(3-cyanophenyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346800
ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate
CID 177283420
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 177283695
5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346531
5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346793
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 177283554
3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 170346796
3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
CID 177283580
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
CID 71115097
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-[2-(1H-pyrazol-5-yl)ethoxy]pyrimidin-4-yl]pyridine-2-carboxamide
CID 177283478
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(2-pyrazol-1-ylethoxy)pyrimidin-4-yl]pyridine-2-carboxamide
CID 177283533

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide (CID 177283432) is 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide is CCCc1ccccc1-c1nc(C(N)=O)c(N)c(-c2c(C)ccc3[nH]ncc23)n1.
What is the InChIKey of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide?
The InChIKey is UODQJAUQJMXNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-3-6-13-7-4-5-8-14(13)22-26-19(18(23)20(27-22)21(24)29)17-12(2)9-10-16-15(17)11-25-28-16/h4-5,7-11H,3,6,23H2,1-2H3,(H2,24,29)(H,25,28).
What are the key properties of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide?
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 177283432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).