4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C24H24ClN5O2 — CID 46884030

IUPAC4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(cnn3C3CCCC3)c2Cl)cc1
InChIInChI=1S/C24H24ClN5O2/c1-14-21(15(2)32-29-14)17-9-7-16(8-10-17)11-27-24(31)20-12-26-23-19(22(20)25)13-28-30(23)18-5-3-4-6-18/h7-10,12-13,18H,3-6,11H2,1-2H3,(H,27,31)
InChIKeyBXUUKKYLHCNIGH-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.40
Rot. Bonds5

About 4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46884030) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46884030
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(cnn3C3CCCC3)c2Cl)cc1
InChIInChI=1S/C24H24ClN5O2/c1-14-21(15(2)32-29-14)17-9-7-16(8-10-17)11-27-24(31)20-12-26-23-19(22(20)25)13-28-30(23)18-5-3-4-6-18/h7-10,12-13,18H,3-6,11H2,1-2H3,(H,27,31)
InChIKeyBXUUKKYLHCNIGH-UHFFFAOYSA-N
XLogP5.40
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46830196
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46884001
3-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592018
3-(5-Benzyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592021
3-(5-Phenyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592031
N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide
CID 165415029
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46883934
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46883998
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46883999
1-benzyl-4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46884000
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46884031
N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546472

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 46884030) is 4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(cnn3C3CCCC3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BXUUKKYLHCNIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-14-21(15(2)32-29-14)17-9-7-16(8-10-17)11-27-24(31)20-12-26-23-19(22(20)25)13-28-30(23)18-5-3-4-6-18/h7-10,12-13,18H,3-6,11H2,1-2H3,(H,27,31).
What are the key properties of 4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46884030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).