5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H20BrN7O — CID 170074489

IUPAC5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cccc(-n2nc(NCc3ccc(Br)cc3)cc2-c2ccn3ncc(C(N)=O)c3c2)n1
InChIInChI=1S/C24H20BrN7O/c1-15-3-2-4-23(29-15)32-20(12-22(30-32)27-13-16-5-7-18(25)8-6-16)17-9-10-31-21(11-17)19(14-28-31)24(26)33/h2-12,14H,13H2,1H3,(H2,26,33)(H,27,30)
InChIKeyBASSJRQKBGARGC-UHFFFAOYSA-N
MW502.38 g/mol
LogP4.36
Rot. Bonds6

About 5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170074489) has the molecular formula C24H20BrN7O and a molecular weight of 502.38 g/mol. Its IUPAC name is 5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170074489
Molecular FormulaC24H20BrN7O
Molecular Weight502.38 g/mol
Exact Mass501.09
IUPAC Name5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cccc(-n2nc(NCc3ccc(Br)cc3)cc2-c2ccn3ncc(C(N)=O)c3c2)n1
InChIInChI=1S/C24H20BrN7O/c1-15-3-2-4-23(29-15)32-20(12-22(30-32)27-13-16-5-7-18(25)8-6-16)17-9-10-31-21(11-17)19(14-28-31)24(26)33/h2-12,14H,13H2,1H3,(H2,26,33)(H,27,30)
InChIKeyBASSJRQKBGARGC-UHFFFAOYSA-N
XLogP4.36
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 170074489) is 5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cccc(-n2nc(NCc3ccc(Br)cc3)cc2-c2ccn3ncc(C(N)=O)c3c2)n1.
What is the InChIKey of 5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BASSJRQKBGARGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN7O/c1-15-3-2-4-23(29-15)32-20(12-22(30-32)27-13-16-5-7-18(25)8-6-16)17-9-10-31-21(11-17)19(14-28-31)24(26)33/h2-12,14H,13H2,1H3,(H2,26,33)(H,27,30).
What are the key properties of 5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 502.38 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170074489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).