3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

C22H19N5O2 — CID 86843489

IUPAC3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnc3n[nH]c(C)c3c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19N5O2/c1-13-8-9-16(10-19(13)25-21(28)15-6-4-3-5-7-15)22(29)24-17-11-18-14(2)26-27-20(18)23-12-17/h3-12H,1-2H3,(H,24,29)(H,25,28)(H,23,26,27)
InChIKeyRXSKXVPAASYJPK-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.08
Rot. Bonds4

About 3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 86843489) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID86843489
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnc3n[nH]c(C)c3c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19N5O2/c1-13-8-9-16(10-19(13)25-21(28)15-6-4-3-5-7-15)22(29)24-17-11-18-14(2)26-27-20(18)23-12-17/h3-12H,1-2H3,(H,24,29)(H,25,28)(H,23,26,27)
InChIKeyRXSKXVPAASYJPK-UHFFFAOYSA-N
XLogP4.08
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550
N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 86843430
3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
CID 86843240
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide
CID 99715700
3-benzamido-N,4-dimethylbenzamide
CID 17226324
4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843520
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86843305
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
CID 86843517
N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 87001470
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 86843489) is 3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide is Cc1ccc(C(=O)Nc2cnc3n[nH]c(C)c3c2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is RXSKXVPAASYJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-13-8-9-16(10-19(13)25-21(28)15-6-4-3-5-7-15)22(29)24-17-11-18-14(2)26-27-20(18)23-12-17/h3-12H,1-2H3,(H,24,29)(H,25,28)(H,23,26,27).
What are the key properties of 3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 385.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 86843489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).