N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide

C17H17ClN6O — CID 53190858

IUPACN-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCn1cc2c(N3CCCC3)nc(C(=O)Nc3cccc(Cl)c3)nc2n1
InChIInChI=1S/C17H17ClN6O/c1-23-10-13-14(22-23)20-15(21-16(13)24-7-2-3-8-24)17(25)19-12-6-4-5-11(18)9-12/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,25)
InChIKeyCCTUQRWYJYDZDT-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.87
Rot. Bonds3

About N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide

N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 53190858) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID53190858
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC NameN-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCn1cc2c(N3CCCC3)nc(C(=O)Nc3cccc(Cl)c3)nc2n1
InChIInChI=1S/C17H17ClN6O/c1-23-10-13-14(22-23)20-15(21-16(13)24-7-2-3-8-24)17(25)19-12-6-4-5-11(18)9-12/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,25)
InChIKeyCCTUQRWYJYDZDT-UHFFFAOYSA-N
XLogP2.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-5,6-dimethyl-7-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 50829657
N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690640
2-methyl-N-[(3-methylphenyl)methyl]-4-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 53190950
6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 25176419
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333957
2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 167899542
N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 83273764
1-(3-chlorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 27478215
N-(3-chlorophenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001299
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116216
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide (CID 53190858) is N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide is Cn1cc2c(N3CCCC3)nc(C(=O)Nc3cccc(Cl)c3)nc2n1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is CCTUQRWYJYDZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-23-10-13-14(22-23)20-15(21-16(13)24-7-2-3-8-24)17(25)19-12-6-4-5-11(18)9-12/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,25).
What are the key properties of N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 356.82 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53190858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).