1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide

C17H18N6O2 — CID 135712466

IUPAC1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(O)c(/C=C3\C=Nc4ncccc43)[nH]2)C1
InChIInChI=1S/C17H18N6O2/c18-14(24)10-3-2-6-23(9-10)17-21-13(16(25)22-17)7-11-8-20-15-12(11)4-1-5-19-15/h1,4-5,7-8,10,25H,2-3,6,9H2,(H2,18,24)(H,21,22)/b11-7+
InChIKeyOZTVUJCGVDOTDH-YRNVUSSQSA-N
MW338.37 g/mol
LogP1.47
Rot. Bonds3

About 1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide

1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide (PubChem CID 135712466) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide
PubChem CID135712466
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(O)c(/C=C3\C=Nc4ncccc43)[nH]2)C1
InChIInChI=1S/C17H18N6O2/c18-14(24)10-3-2-6-23(9-10)17-21-13(16(25)22-17)7-11-8-20-15-12(11)4-1-5-19-15/h1,4-5,7-8,10,25H,2-3,6,9H2,(H2,18,24)(H,21,22)/b11-7+
InChIKeyOZTVUJCGVDOTDH-YRNVUSSQSA-N
XLogP1.47
TPSA120.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide (CID 135712466) is 1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2nc(O)c(/C=C3\C=Nc4ncccc43)[nH]2)C1.
What is the InChIKey of 1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide?
The InChIKey is OZTVUJCGVDOTDH-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H18N6O2/c18-14(24)10-3-2-6-23(9-10)17-21-13(16(25)22-17)7-11-8-20-15-12(11)4-1-5-19-15/h1,4-5,7-8,10,25H,2-3,6,9H2,(H2,18,24)(H,21,22)/b11-7+.
What are the key properties of 1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide?
1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 135712466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).