3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine

C24H30BrClN4 — CID 90045993

IUPAC3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine
SMILESCC(C)CCN1CCCC(CNc2cc(-c3ccccc3Cl)cc3c(Br)cnn23)C1
InChIInChI=1S/C24H30BrClN4/c1-17(2)9-11-29-10-5-6-18(16-29)14-27-24-13-19(20-7-3-4-8-22(20)26)12-23-21(25)15-28-30(23)24/h3-4,7-8,12-13,15,17-18,27H,5-6,9-11,14,16H2,1-2H3
InChIKeyMYTWEPSXIVXZIN-UHFFFAOYSA-N
MW489.89 g/mol
LogP6.59
Rot. Bonds7

About 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine

3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 90045993) has the molecular formula C24H30BrClN4 and a molecular weight of 489.89 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine
PubChem CID90045993
Molecular FormulaC24H30BrClN4
Molecular Weight489.89 g/mol
Exact Mass488.13
IUPAC Name3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine
SMILESCC(C)CCN1CCCC(CNc2cc(-c3ccccc3Cl)cc3c(Br)cnn23)C1
InChIInChI=1S/C24H30BrClN4/c1-17(2)9-11-29-10-5-6-18(16-29)14-27-24-13-19(20-7-3-4-8-22(20)26)12-23-21(25)15-28-30(23)24/h3-4,7-8,12-13,15,17-18,27H,5-6,9-11,14,16H2,1-2H3
InChIKeyMYTWEPSXIVXZIN-UHFFFAOYSA-N
XLogP6.59
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.89
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine (CID 90045993) is 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine is CC(C)CCN1CCCC(CNc2cc(-c3ccccc3Cl)cc3c(Br)cnn23)C1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is MYTWEPSXIVXZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrClN4/c1-17(2)9-11-29-10-5-6-18(16-29)14-27-24-13-19(20-7-3-4-8-22(20)26)12-23-21(25)15-28-30(23)24/h3-4,7-8,12-13,15,17-18,27H,5-6,9-11,14,16H2,1-2H3.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine?
3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 489.89 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 90045993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).