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

C22H19ClN8O — CID 129097457

IUPAC2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nnc2c(Cl)cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)n12
InChIInChI=1S/C22H19ClN8O/c1-12(26-22(32)17-19(24)29-30-10-6-9-25-21(17)30)15-11-16(23)20-28-27-13(2)31(20)18(15)14-7-4-3-5-8-14/h3-12H,1-2H3,(H2,24,29)(H,26,32)
InChIKeyGNXOSBNCIWKLNP-UHFFFAOYSA-N
MW446.90 g/mol
LogP3.47
Rot. Bonds4

About 2-amino-N-[1-(8-chloro-3-methyl-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-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097457) has the molecular formula C22H19ClN8O and a molecular weight of 446.90 g/mol. Its IUPAC name is 2-amino-N-[1-(8-chloro-3-methyl-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-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097457
Molecular FormulaC22H19ClN8O
Molecular Weight446.90 g/mol
Exact Mass446.14
IUPAC Name2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nnc2c(Cl)cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)n12
InChIInChI=1S/C22H19ClN8O/c1-12(26-22(32)17-19(24)29-30-10-6-9-25-21(17)30)15-11-16(23)20-28-27-13(2)31(20)18(15)14-7-4-3-5-8-14/h3-12H,1-2H3,(H2,24,29)(H,26,32)
InChIKeyGNXOSBNCIWKLNP-UHFFFAOYSA-N
XLogP3.47
TPSA115.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.90
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(8-chloro-3-methyl-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-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097457) is 2-amino-N-[1-(8-chloro-3-methyl-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-3-methyl-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-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nnc2c(Cl)cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)n12.
What is the InChIKey of 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GNXOSBNCIWKLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O/c1-12(26-22(32)17-19(24)29-30-10-6-9-25-21(17)30)15-11-16(23)20-28-27-13(2)31(20)18(15)14-7-4-3-5-8-14/h3-12H,1-2H3,(H2,24,29)(H,26,32).
What are the key properties of 2-amino-N-[1-(8-chloro-3-methyl-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-3-methyl-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 446.90 g/mol, XLogP of 3.47, 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-3-methyl-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 129097457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).