N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H24ClN5O2 — CID 52662520

IUPACN-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(C(=O)NC(C)C)ccc3Cl)c12
InChIInChI=1S/C25H24ClN5O2/c1-14(2)27-24(32)17-10-11-19(26)21(12-17)29-25(33)18-13-20(16-8-6-5-7-9-16)28-23-22(18)15(3)30-31(23)4/h5-14H,1-4H3,(H,27,32)(H,29,33)
InChIKeyKYZGUCDCSXXTDV-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.99
Rot. Bonds5

About N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 52662520) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID52662520
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC NameN-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(C(=O)NC(C)C)ccc3Cl)c12
InChIInChI=1S/C25H24ClN5O2/c1-14(2)27-24(32)17-10-11-19(26)21(12-17)29-25(33)18-13-20(16-8-6-5-7-9-16)28-23-22(18)15(3)30-31(23)4/h5-14H,1-4H3,(H,27,32)(H,29,33)
InChIKeyKYZGUCDCSXXTDV-UHFFFAOYSA-N
XLogP4.99
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46687747
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
N-[1-(2-methoxyphenyl)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42930632
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
1,3-dimethyl-6-phenyl-N-(1-pyridin-4-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51322660
1-cyanoethyl 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46516996
1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43038283
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36524540
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
N-(3-amino-2-methylpropyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119997751

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 52662520) is N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(C(=O)NC(C)C)ccc3Cl)c12.
What is the InChIKey of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KYZGUCDCSXXTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-14(2)27-24(32)17-10-11-19(26)21(12-17)29-25(33)18-13-20(16-8-6-5-7-9-16)28-23-22(18)15(3)30-31(23)4/h5-14H,1-4H3,(H,27,32)(H,29,33).
What are the key properties of N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 52662520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).