5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine

C14H11BrN8S — CID 76853212

IUPAC5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine
SMILESNc1nc(-n2ncc3ccncc32)nc(NCc2cncs2)c1Br
InChIInChI=1S/C14H11BrN8S/c15-11-12(16)21-14(22-13(11)19-5-9-4-18-7-24-9)23-10-6-17-2-1-8(10)3-20-23/h1-4,6-7H,5H2,(H3,16,19,21,22)
InChIKeyJGLSQVKAGHSSJI-UHFFFAOYSA-N
MW403.27 g/mol
LogP2.62
Rot. Bonds4

About 5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine

5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 76853212) has the molecular formula C14H11BrN8S and a molecular weight of 403.27 g/mol. Its IUPAC name is 5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine
PubChem CID76853212
Molecular FormulaC14H11BrN8S
Molecular Weight403.27 g/mol
Exact Mass402.00
IUPAC Name5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine
SMILESNc1nc(-n2ncc3ccncc32)nc(NCc2cncs2)c1Br
InChIInChI=1S/C14H11BrN8S/c15-11-12(16)21-14(22-13(11)19-5-9-4-18-7-24-9)23-10-6-17-2-1-8(10)3-20-23/h1-4,6-7H,5H2,(H3,16,19,21,22)
InChIKeyJGLSQVKAGHSSJI-UHFFFAOYSA-N
XLogP2.62
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 70982376
2-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1,3-thiazole
CID 91245989
3-[(2-Fluorophenyl)methyl]-7-(1,3-thiazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9858577
3-(2-Fluorobenzyl)-7-(2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 9858578
1-(2-Fluorobenzyl)-4-(2-thiazolyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015509
3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346
4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 73774844
5-(pyridin-2-ylmethyl)-4-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335005
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 71007274
5-[1-(6-Piperazin-1-yl-2-pyridyl)pyrazolo[4,3-c]pyridin-6-yl]thiazole
CID 72715048
5-bromo-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-pyrazolo[5,4-c]pyridin-1-ylpyrimidine-4,6-diamine
CID 77107297

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine (CID 76853212) is 5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine is Nc1nc(-n2ncc3ccncc32)nc(NCc2cncs2)c1Br.
What is the InChIKey of 5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is JGLSQVKAGHSSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN8S/c15-11-12(16)21-14(22-13(11)19-5-9-4-18-7-24-9)23-10-6-17-2-1-8(10)3-20-23/h1-4,6-7H,5H2,(H3,16,19,21,22).
What are the key properties of 5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine?
5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 403.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 76853212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).