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

C12H9ClN6O — CID 170346793

IUPAC5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(Cl)nc(-c2cccc3[nH]ncc23)c1N
InChIInChI=1S/C12H9ClN6O/c13-12-17-9(8(14)10(18-12)11(15)20)5-2-1-3-7-6(5)4-16-19-7/h1-4H,14H2,(H2,15,20)(H,16,19)
InChIKeyBTOSMHYFMSRCCO-UHFFFAOYSA-N
MW288.70 g/mol
LogP1.35
Rot. Bonds2

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

5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 170346793) has the molecular formula C12H9ClN6O and a molecular weight of 288.70 g/mol. Its IUPAC name is 5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide
PubChem CID170346793
Molecular FormulaC12H9ClN6O
Molecular Weight288.70 g/mol
Exact Mass288.05
IUPAC Name5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(Cl)nc(-c2cccc3[nH]ncc23)c1N
InChIInChI=1S/C12H9ClN6O/c13-12-17-9(8(14)10(18-12)11(15)20)5-2-1-3-7-6(5)4-16-19-7/h1-4H,14H2,(H2,15,20)(H,16,19)
InChIKeyBTOSMHYFMSRCCO-UHFFFAOYSA-N
XLogP1.35
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate
CID 90451077
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide
CID 177283432
1H-indazol-4-amine;2-methylpropanoic acid
CID 159051220
5-amino-2-(3-cyanophenyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346800
1H-indazol-4-amine;dihydrochloride
CID 18779330
3-(1H-indazol-4-yl)phenol
CID 83445848
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide
CID 177283645
N-[4-(1H-indazol-4-yl)phenyl]acetamide
CID 146128615
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 177283554
2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide
CID 61117079
ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate
CID 177283420
sodium;4-chloro-1H-indazole;hydride
CID 175559887

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide (CID 170346793) is 5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide is NC(=O)c1nc(Cl)nc(-c2cccc3[nH]ncc23)c1N.
What is the InChIKey of 5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is BTOSMHYFMSRCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6O/c13-12-17-9(8(14)10(18-12)11(15)20)5-2-1-3-7-6(5)4-16-19-7/h1-4H,14H2,(H2,15,20)(H,16,19).
What are the key properties of 5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide?
5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 288.70 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170346793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).