N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C27H37N5O — CID 110091486

IUPACN-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1ccccc1CN1CCC(c2cc3nc(C)c(CCC(=O)NC(C)(C)C)c(C)n3n2)C1
InChIInChI=1S/C27H37N5O/c1-18-9-7-8-10-21(18)16-31-14-13-22(17-31)24-15-25-28-19(2)23(20(3)32(25)30-24)11-12-26(33)29-27(4,5)6/h7-10,15,22H,11-14,16-17H2,1-6H3,(H,29,33)
InChIKeyJBFTZRCIZKAZLA-UHFFFAOYSA-N
MW447.63 g/mol
LogP4.49
Rot. Bonds6

About N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 110091486) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID110091486
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC NameN-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1ccccc1CN1CCC(c2cc3nc(C)c(CCC(=O)NC(C)(C)C)c(C)n3n2)C1
InChIInChI=1S/C27H37N5O/c1-18-9-7-8-10-21(18)16-31-14-13-22(17-31)24-15-25-28-19(2)23(20(3)32(25)30-24)11-12-26(33)29-27(4,5)6/h7-10,15,22H,11-14,16-17H2,1-6H3,(H,29,33)
InChIKeyJBFTZRCIZKAZLA-UHFFFAOYSA-N
XLogP4.49
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 110091486) is N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1ccccc1CN1CCC(c2cc3nc(C)c(CCC(=O)NC(C)(C)C)c(C)n3n2)C1.
What is the InChIKey of N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is JBFTZRCIZKAZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O/c1-18-9-7-8-10-21(18)16-31-14-13-22(17-31)24-15-25-28-19(2)23(20(3)32(25)30-24)11-12-26(33)29-27(4,5)6/h7-10,15,22H,11-14,16-17H2,1-6H3,(H,29,33).
What are the key properties of N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 447.63 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 110091486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).