N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C23H26ClN5O2 — CID 55777121

IUPACN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3cc(Cl)ccc3C(=O)N3CCCC3)c(C)n2n1
InChIInChI=1S/C23H26ClN5O2/c1-14-12-21-25-15(2)18(16(3)29(21)27-14)8-9-22(30)26-20-13-17(24)6-7-19(20)23(31)28-10-4-5-11-28/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,26,30)
InChIKeyASXXXGKHYATUIC-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.12
Rot. Bonds5

About N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 55777121) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID55777121
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3cc(Cl)ccc3C(=O)N3CCCC3)c(C)n2n1
InChIInChI=1S/C23H26ClN5O2/c1-14-12-21-25-15(2)18(16(3)29(21)27-14)8-9-22(30)26-20-13-17(24)6-7-19(20)23(31)28-10-4-5-11-28/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,26,30)
InChIKeyASXXXGKHYATUIC-UHFFFAOYSA-N
XLogP4.12
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 55660584
N-(2-hydroxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 31617297
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 55777037
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
N-(2,4-dimethylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 8776996
N-naphthalen-1-yl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142251
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55873986
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33147707
N-(5-acetamido-2-methylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55692086
N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35505375

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 55777121) is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)Nc3cc(Cl)ccc3C(=O)N3CCCC3)c(C)n2n1.
What is the InChIKey of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is ASXXXGKHYATUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-14-12-21-25-15(2)18(16(3)29(21)27-14)8-9-22(30)26-20-13-17(24)6-7-19(20)23(31)28-10-4-5-11-28/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,26,30).
What are the key properties of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 439.95 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 55777121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).