N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide

C21H25ClN6O — CID 59633601

IUPACN-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2ncnc3c2c(-c2ccc(Cl)cc2)nn3C(C)(C)C)C1
InChIInChI=1S/C21H25ClN6O/c1-21(2,3)28-19-16(17(26-28)13-5-7-15(22)8-6-13)18(23-12-24-19)25-20(29)14-9-10-27(4)11-14/h5-8,12,14H,9-11H2,1-4H3,(H,23,24,25,29)
InChIKeyDPOLEDZCKIIHIV-UHFFFAOYSA-N
MW412.93 g/mol
LogP3.79
Rot. Bonds3

About N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide

N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 59633601) has the molecular formula C21H25ClN6O and a molecular weight of 412.93 g/mol. Its IUPAC name is N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide
PubChem CID59633601
Molecular FormulaC21H25ClN6O
Molecular Weight412.93 g/mol
Exact Mass412.18
IUPAC NameN-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2ncnc3c2c(-c2ccc(Cl)cc2)nn3C(C)(C)C)C1
InChIInChI=1S/C21H25ClN6O/c1-21(2,3)28-19-16(17(26-28)13-5-7-15(22)8-6-13)18(23-12-24-19)25-20(29)14-9-10-27(4)11-14/h5-8,12,14H,9-11H2,1-4H3,(H,23,24,25,29)
InChIKeyDPOLEDZCKIIHIV-UHFFFAOYSA-N
XLogP3.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.93
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide 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

N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 1471842
N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide
CID 22138414
4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
CID 145011044
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756
1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide
CID 56602612
N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110864208
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 137431006
(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338001
(3R)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338002
N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide
CID 1489654
1-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 78137211

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide (CID 59633601) is N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide is CN1CCC(C(=O)Nc2ncnc3c2c(-c2ccc(Cl)cc2)nn3C(C)(C)C)C1.
What is the InChIKey of N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is DPOLEDZCKIIHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O/c1-21(2,3)28-19-16(17(26-28)13-5-7-15(22)8-6-13)18(23-12-24-19)25-20(29)14-9-10-27(4)11-14/h5-8,12,14H,9-11H2,1-4H3,(H,23,24,25,29).
What are the key properties of N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide?
N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 412.93 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 59633601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).