N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C28H29N5O2 — CID 46514709

IUPACN-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)C(C)c3cccc(NC(=O)c4ccccc4)c3)c12
InChIInChI=1S/C28H29N5O2/c1-17-25-23(16-24(19-13-14-19)30-26(25)33(4)31-17)28(35)32(3)18(2)21-11-8-12-22(15-21)29-27(34)20-9-6-5-7-10-20/h5-12,15-16,18-19H,13-14H2,1-4H3,(H,29,34)
InChIKeyRQABAEWTEDWKLN-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.24
Rot. Bonds6

About N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46514709) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46514709
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC NameN-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)C(C)c3cccc(NC(=O)c4ccccc4)c3)c12
InChIInChI=1S/C28H29N5O2/c1-17-25-23(16-24(19-13-14-19)30-26(25)33(4)31-17)28(35)32(3)18(2)21-11-8-12-22(15-21)29-27(34)20-9-6-5-7-10-20/h5-12,15-16,18-19H,13-14H2,1-4H3,(H,29,34)
InChIKeyRQABAEWTEDWKLN-UHFFFAOYSA-N
XLogP5.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3-trimethyl-N-[(1S)-1-phenylethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32909140
6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43046709
N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95303336
6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38398974
N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55576758
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
6-cyclopropyl-N,N-diethyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 34838029
6-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35337457
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46514709) is N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)C(C)c3cccc(NC(=O)c4ccccc4)c3)c12.
What is the InChIKey of N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RQABAEWTEDWKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-17-25-23(16-24(19-13-14-19)30-26(25)33(4)31-17)28(35)32(3)18(2)21-11-8-12-22(15-21)29-27(34)20-9-6-5-7-10-20/h5-12,15-16,18-19H,13-14H2,1-4H3,(H,29,34).
What are the key properties of N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46514709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).