3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

C20H16N6O2 — CID 71456646

IUPAC3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESO=C(Nc1ccccc1)Nc1cccc(C(=O)Nc2cnc3[nH]ncc3c2)c1
InChIInChI=1S/C20H16N6O2/c27-19(23-17-10-14-11-22-26-18(14)21-12-17)13-5-4-8-16(9-13)25-20(28)24-15-6-2-1-3-7-15/h1-12H,(H,23,27)(H,21,22,26)(H2,24,25,28)
InChIKeyFUBCCLOWKPWWOU-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.85
Rot. Bonds4

About 3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 71456646) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID71456646
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESO=C(Nc1ccccc1)Nc1cccc(C(=O)Nc2cnc3[nH]ncc3c2)c1
InChIInChI=1S/C20H16N6O2/c27-19(23-17-10-14-11-22-26-18(14)21-12-17)13-5-4-8-16(9-13)25-20(28)24-15-6-2-1-3-7-15/h1-12H,(H,23,27)(H,21,22,26)(H2,24,25,28)
InChIKeyFUBCCLOWKPWWOU-UHFFFAOYSA-N
XLogP3.85
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 71456646) is 3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide is O=C(Nc1ccccc1)Nc1cccc(C(=O)Nc2cnc3[nH]ncc3c2)c1.
What is the InChIKey of 3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is FUBCCLOWKPWWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-19(23-17-10-14-11-22-26-18(14)21-12-17)13-5-4-8-16(9-13)25-20(28)24-15-6-2-1-3-7-15/h1-12H,(H,23,27)(H,21,22,26)(H2,24,25,28).
What are the key properties of 3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 372.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 71456646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).