1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C22H21N5O — CID 171315090

IUPAC1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2nc(-c3cccnc3)c(C(=O)NC(C)c3ccccc3)cc12
InChIInChI=1S/C22H21N5O/c1-14(16-8-5-4-6-9-16)24-22(28)19-12-18-15(2)26-27(3)21(18)25-20(19)17-10-7-11-23-13-17/h4-14H,1-3H3,(H,24,28)
InChIKeyAVJVSBGZNCOVRN-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.83
Rot. Bonds4

About 1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 171315090) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID171315090
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2nc(-c3cccnc3)c(C(=O)NC(C)c3ccccc3)cc12
InChIInChI=1S/C22H21N5O/c1-14(16-8-5-4-6-9-16)24-22(28)19-12-18-15(2)26-27(3)21(18)25-20(19)17-10-7-11-23-13-17/h4-14H,1-3H3,(H,24,28)
InChIKeyAVJVSBGZNCOVRN-UHFFFAOYSA-N
XLogP3.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-6-phenyl-N-(1-pyridin-4-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51322660
1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 96567499
(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 119366419
1,3,6-trimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 26249415
N-[1-(4-methylsulfanylphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46432603
1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 97088156
2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
CID 158029565
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 51096775
1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 41259195
N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965475
5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330422
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 171315090) is 1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2nc(-c3cccnc3)c(C(=O)NC(C)c3ccccc3)cc12.
What is the InChIKey of 1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is AVJVSBGZNCOVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14(16-8-5-4-6-9-16)24-22(28)19-12-18-15(2)26-27(3)21(18)25-20(19)17-10-7-11-23-13-17/h4-14H,1-3H3,(H,24,28).
What are the key properties of 1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 171315090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).