6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H18ClN7O — CID 90275563

IUPAC6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cnn4cc(Cl)cnc34)n(-c3ccc(C)cn3)n2)cc1
InChIInChI=1S/C23H18ClN7O/c1-14-3-6-16(7-4-14)19-9-21(31(29-19)20-8-5-15(2)10-25-20)28-23(32)18-12-27-30-13-17(24)11-26-22(18)30/h3-13H,1-2H3,(H,28,32)
InChIKeySTMQZVWBIKOEII-UHFFFAOYSA-N
MW443.90 g/mol
LogP4.50
Rot. Bonds4

About 6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90275563) has the molecular formula C23H18ClN7O and a molecular weight of 443.90 g/mol. Its IUPAC name is 6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90275563
Molecular FormulaC23H18ClN7O
Molecular Weight443.90 g/mol
Exact Mass443.13
IUPAC Name6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cnn4cc(Cl)cnc34)n(-c3ccc(C)cn3)n2)cc1
InChIInChI=1S/C23H18ClN7O/c1-14-3-6-16(7-4-14)19-9-21(31(29-19)20-8-5-15(2)10-25-20)28-23(32)18-12-27-30-13-17(24)11-26-22(18)30/h3-13H,1-2H3,(H,28,32)
InChIKeySTMQZVWBIKOEII-UHFFFAOYSA-N
XLogP4.50
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90275563) is 6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2cc(NC(=O)c3cnn4cc(Cl)cnc34)n(-c3ccc(C)cn3)n2)cc1.
What is the InChIKey of 6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is STMQZVWBIKOEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O/c1-14-3-6-16(7-4-14)19-9-21(31(29-19)20-8-5-15(2)10-25-20)28-23(32)18-12-27-30-13-17(24)11-26-22(18)30/h3-13H,1-2H3,(H,28,32).
What are the key properties of 6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.90 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90275563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).