2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C17H14Cl2N10O2 — CID 129072235

IUPAC2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCN(C)C(=O)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12
InChIInChI=1S/C17H14Cl2N10O2/c1-27(2)16(30)14-11(8-20-13-6-12(19)26-28(13)14)25-17(31)24-9-5-10(18)15(21-7-9)29-22-3-4-23-29/h3-8H,1-2H3,(H2,24,25,31)
InChIKeyBQDMZGKPZNJNRP-UHFFFAOYSA-N
MW461.27 g/mol
LogP2.36
Rot. Bonds4

About 2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide

2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 129072235) has the molecular formula C17H14Cl2N10O2 and a molecular weight of 461.27 g/mol. Its IUPAC name is 2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID129072235
Molecular FormulaC17H14Cl2N10O2
Molecular Weight461.27 g/mol
Exact Mass460.07
IUPAC Name2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCN(C)C(=O)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12
InChIInChI=1S/C17H14Cl2N10O2/c1-27(2)16(30)14-11(8-20-13-6-12(19)26-28(13)14)25-17(31)24-9-5-10(18)15(21-7-9)29-22-3-4-23-29/h3-8H,1-2H3,(H2,24,25,31)
InChIKeyBQDMZGKPZNJNRP-UHFFFAOYSA-N
XLogP2.36
TPSA135.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 129072235) is 2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide is CN(C)C(=O)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12.
What is the InChIKey of 2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is BQDMZGKPZNJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N10O2/c1-27(2)16(30)14-11(8-20-13-6-12(19)26-28(13)14)25-17(31)24-9-5-10(18)15(21-7-9)29-22-3-4-23-29/h3-8H,1-2H3,(H2,24,25,31).
What are the key properties of 2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 461.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 129072235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).