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

C18H16N6OS — CID 177283645

IUPAC5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide
SMILESCc1csc(-c2nc(C(N)=O)c(N)c(-c3c(C)ccc4[nH]ncc34)n2)c1
InChIInChI=1S/C18H16N6OS/c1-8-5-12(26-7-8)18-22-15(14(19)16(23-18)17(20)25)13-9(2)3-4-11-10(13)6-21-24-11/h3-7H,19H2,1-2H3,(H2,20,25)(H,21,24)
InChIKeyBQICLVFEVKLPRV-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.05
Rot. Bonds3

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

5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide (PubChem CID 177283645) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide
PubChem CID177283645
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide
SMILESCc1csc(-c2nc(C(N)=O)c(N)c(-c3c(C)ccc4[nH]ncc34)n2)c1
InChIInChI=1S/C18H16N6OS/c1-8-5-12(26-7-8)18-22-15(14(19)16(23-18)17(20)25)13-9(2)3-4-11-10(13)6-21-24-11/h3-7H,19H2,1-2H3,(H2,20,25)(H,21,24)
InChIKeyBQICLVFEVKLPRV-UHFFFAOYSA-N
XLogP3.05
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide
CID 177283432
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-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 177283695
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
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
CID 71115097
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide
CID 177283615
3-amino-2-(5-methyl-1H-indazol-4-yl)-6-[2-(propan-2-ylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 170346796
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide
CID 177283677
4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide
CID 71765469
5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346793

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide (CID 177283645) is 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide is Cc1csc(-c2nc(C(N)=O)c(N)c(-c3c(C)ccc4[nH]ncc34)n2)c1.
What is the InChIKey of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide?
The InChIKey is BQICLVFEVKLPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-8-5-12(26-7-8)18-22-15(14(19)16(23-18)17(20)25)13-9(2)3-4-11-10(13)6-21-24-11/h3-7H,19H2,1-2H3,(H2,20,25)(H,21,24).
What are the key properties of 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide?
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 177283645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).