2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H17ClN8O — CID 129097915

IUPAC2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2nncn2c1-c1ccccc1
InChIInChI=1S/C21H17ClN8O/c1-12(26-21(31)16-18(23)28-30-9-5-8-24-20(16)30)14-10-15(22)19-27-25-11-29(19)17(14)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,28)(H,26,31)
InChIKeyBONFONKCOZKCNV-UHFFFAOYSA-N
MW432.88 g/mol
LogP3.17
Rot. Bonds4

About 2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097915) has the molecular formula C21H17ClN8O and a molecular weight of 432.88 g/mol. Its IUPAC name is 2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097915
Molecular FormulaC21H17ClN8O
Molecular Weight432.88 g/mol
Exact Mass432.12
IUPAC Name2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2nncn2c1-c1ccccc1
InChIInChI=1S/C21H17ClN8O/c1-12(26-21(31)16-18(23)28-30-9-5-8-24-20(16)30)14-10-15(22)19-27-25-11-29(19)17(14)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,28)(H,26,31)
InChIKeyBONFONKCOZKCNV-UHFFFAOYSA-N
XLogP3.17
TPSA115.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097915) is 2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2nncn2c1-c1ccccc1.
What is the InChIKey of 2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BONFONKCOZKCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN8O/c1-12(26-21(31)16-18(23)28-30-9-5-8-24-20(16)30)14-10-15(22)19-27-25-11-29(19)17(14)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,28)(H,26,31).
What are the key properties of 2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 432.88 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).