2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide

C26H23N5O3 — CID 121231215

IUPAC2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
SMILESCOc1ncc(C(=O)c2cn(C(C)C)c3ccncc23)cc1NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C26H23N5O3/c1-16(2)31-15-21(20-14-28-9-8-23(20)31)25(33)19-11-22(26(34-3)29-13-19)30-24(32)10-17-4-6-18(12-27)7-5-17/h4-9,11,13-16H,10H2,1-3H3,(H,30,32)
InChIKeyZFSKGSRKPCULOX-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.30
Rot. Bonds7

About 2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide

2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide (PubChem CID 121231215) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
PubChem CID121231215
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
SMILESCOc1ncc(C(=O)c2cn(C(C)C)c3ccncc23)cc1NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C26H23N5O3/c1-16(2)31-15-21(20-14-28-9-8-23(20)31)25(33)19-11-22(26(34-3)29-13-19)30-24(32)10-17-4-6-18(12-27)7-5-17/h4-9,11,13-16H,10H2,1-3H3,(H,30,32)
InChIKeyZFSKGSRKPCULOX-UHFFFAOYSA-N
XLogP4.30
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide (CID 121231215) is 2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide is COc1ncc(C(=O)c2cn(C(C)C)c3ccncc23)cc1NC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is ZFSKGSRKPCULOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-16(2)31-15-21(20-14-28-9-8-23(20)31)25(33)19-11-22(26(34-3)29-13-19)30-24(32)10-17-4-6-18(12-27)7-5-17/h4-9,11,13-16H,10H2,1-3H3,(H,30,32).
What are the key properties of 2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 453.50 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 121231215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).