5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C29H28ClN5O2S — CID 71213619

IUPAC5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(NCC3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C29H28ClN5O2S/c1-20-17-32-35-28(16-27(33-29(20)35)25-10-4-5-11-26(25)30)31-18-21-7-6-14-34(19-21)38(36,37)24-13-12-22-8-2-3-9-23(22)15-24/h2-5,8-13,15-17,21,31H,6-7,14,18-19H2,1H3
InChIKeyYDSHTEXASYYKLR-UHFFFAOYSA-N
MW546.10 g/mol
LogP6.02
Rot. Bonds6

About 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71213619) has the molecular formula C29H28ClN5O2S and a molecular weight of 546.10 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71213619
Molecular FormulaC29H28ClN5O2S
Molecular Weight546.10 g/mol
Exact Mass545.17
IUPAC Name5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(NCC3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C29H28ClN5O2S/c1-20-17-32-35-28(16-27(33-29(20)35)25-10-4-5-11-26(25)30)31-18-21-7-6-14-34(19-21)38(36,37)24-13-12-22-8-2-3-9-23(22)15-24/h2-5,8-13,15-17,21,31H,6-7,14,18-19H2,1H3
InChIKeyYDSHTEXASYYKLR-UHFFFAOYSA-N
XLogP6.02
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.10
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-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 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 71213619) is 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(NCC3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)cc(-c3ccccc3Cl)nc12.
What is the InChIKey of 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YDSHTEXASYYKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN5O2S/c1-20-17-32-35-28(16-27(33-29(20)35)25-10-4-5-11-26(25)30)31-18-21-7-6-14-34(19-21)38(36,37)24-13-12-22-8-2-3-9-23(22)15-24/h2-5,8-13,15-17,21,31H,6-7,14,18-19H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 546.10 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71213619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).