N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide

C25H32ClN7O3S — CID 58029669

IUPACN-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CCC[C@H]1CN
InChIInChI=1S/C25H32ClN7O3S/c1-16-15-33-23(28-24(16)31-11-5-6-18(31)14-27)13-21(29-33)22-7-3-4-10-32(22)25(34)19-12-17(26)8-9-20(19)30-37(2,35)36/h8-9,12-13,15,18,22,30H,3-7,10-11,14,27H2,1-2H3/t18-,22-/m0/s1
InChIKeyIRIZTUSLDXWWGF-AVRDEDQJSA-N
MW546.10 g/mol
LogP3.36
Rot. Bonds6

About N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide

N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide (PubChem CID 58029669) has the molecular formula C25H32ClN7O3S and a molecular weight of 546.10 g/mol. Its IUPAC name is N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
PubChem CID58029669
Molecular FormulaC25H32ClN7O3S
Molecular Weight546.10 g/mol
Exact Mass545.20
IUPAC NameN-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CCC[C@H]1CN
InChIInChI=1S/C25H32ClN7O3S/c1-16-15-33-23(28-24(16)31-11-5-6-18(31)14-27)13-21(29-33)22-7-3-4-10-32(22)25(34)19-12-17(26)8-9-20(19)30-37(2,35)36/h8-9,12-13,15,18,22,30H,3-7,10-11,14,27H2,1-2H3/t18-,22-/m0/s1
InChIKeyIRIZTUSLDXWWGF-AVRDEDQJSA-N
XLogP3.36
TPSA125.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.10
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide 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 N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide (CID 58029669) is N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide is Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CCC[C@H]1CN.
What is the InChIKey of N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?
The InChIKey is IRIZTUSLDXWWGF-AVRDEDQJSA-N. The full InChI is InChI=1S/C25H32ClN7O3S/c1-16-15-33-23(28-24(16)31-11-5-6-18(31)14-27)13-21(29-33)22-7-3-4-10-32(22)25(34)19-12-17(26)8-9-20(19)30-37(2,35)36/h8-9,12-13,15,18,22,30H,3-7,10-11,14,27H2,1-2H3/t18-,22-/m0/s1.
What are the key properties of N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?
N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide has a molecular weight of 546.10 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-[5-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 58029669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).