N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C28H25ClN8O2 — CID 44907682

IUPACN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(c3ccc(C)c(C)c3)C2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1
InChIInChI=1S/C28H25ClN8O2/c1-16-7-8-21(9-17(16)2)35-14-19(11-25(35)38)28(39)33-24-10-18(3)34-37(24)27-23-13-32-36(26(23)30-15-31-27)22-6-4-5-20(29)12-22/h4-10,12-13,15,19H,11,14H2,1-3H3,(H,33,39)
InChIKeyUMNYYUDNSMQTTF-UHFFFAOYSA-N
MW541.02 g/mol
LogP4.57
Rot. Bonds5

About N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 44907682) has the molecular formula C28H25ClN8O2 and a molecular weight of 541.02 g/mol. Its IUPAC name is N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID44907682
Molecular FormulaC28H25ClN8O2
Molecular Weight541.02 g/mol
Exact Mass540.18
IUPAC NameN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(c3ccc(C)c(C)c3)C2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1
InChIInChI=1S/C28H25ClN8O2/c1-16-7-8-21(9-17(16)2)35-14-19(11-25(35)38)28(39)33-24-10-18(3)34-37(24)27-23-13-32-36(26(23)30-15-31-27)22-6-4-5-20(29)12-22/h4-10,12-13,15,19H,11,14H2,1-3H3,(H,33,39)
InChIKeyUMNYYUDNSMQTTF-UHFFFAOYSA-N
XLogP4.57
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.02
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 27477182
1-(3,4-dimethylphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 136603956
1-(4-chlorophenyl)-N-[2-[1-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 136604528
1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 136604077
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide
CID 27477199
N-[2-[1-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 136604527
N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136603949
(E)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 41242121
N-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2931278
1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide
CID 44907667
N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 136604195
2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 27477336

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 44907682) is N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(=O)N(c3ccc(C)c(C)c3)C2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UMNYYUDNSMQTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN8O2/c1-16-7-8-21(9-17(16)2)35-14-19(11-25(35)38)28(39)33-24-10-18(3)34-37(24)27-23-13-32-36(26(23)30-15-31-27)22-6-4-5-20(29)12-22/h4-10,12-13,15,19H,11,14H2,1-3H3,(H,33,39).
What are the key properties of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 541.02 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 44907682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).