2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide

C26H23N5O3 — CID 118341231

IUPAC2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cnccc21
InChIInChI=1S/C26H23N5O3/c1-26(2,16-32)31-15-22(21-14-28-8-7-23(21)31)25(34)19-10-20(13-29-12-19)30-24(33)9-17-3-5-18(11-27)6-4-17/h3-8,10,12-15,32H,9,16H2,1-2H3,(H,30,33)
InChIKeyKNQUZBXKJSAGKQ-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.44
Rot. Bonds7

About 2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide

2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide (PubChem CID 118341231) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
PubChem CID118341231
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cnccc21
InChIInChI=1S/C26H23N5O3/c1-26(2,16-32)31-15-22(21-14-28-8-7-23(21)31)25(34)19-10-20(13-29-12-19)30-24(33)9-17-3-5-18(11-27)6-4-17/h3-8,10,12-15,32H,9,16H2,1-2H3,(H,30,33)
InChIKeyKNQUZBXKJSAGKQ-UHFFFAOYSA-N
XLogP3.44
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide (CID 118341231) is 2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide is CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cnccc21.
What is the InChIKey of 2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
The InChIKey is KNQUZBXKJSAGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-26(2,16-32)31-15-22(21-14-28-8-7-23(21)31)25(34)19-10-20(13-29-12-19)30-24(33)9-17-3-5-18(11-27)6-4-17/h3-8,10,12-15,32H,9,16H2,1-2H3,(H,30,33).
What are the key properties of 2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide has a molecular weight of 453.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 118341231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).