5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol

C16H13N5OS — CID 135712520

IUPAC5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol
SMILESOc1nc(NCc2cccs2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C16H13N5OS/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1-8,22H,9H2,(H2,19,20,21)/b10-7+
InChIKeySHSMPGJQQXAUMA-JXMROGBWSA-N
MW323.38 g/mol
LogP3.44
Rot. Bonds4

About 5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol

5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol (PubChem CID 135712520) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol
PubChem CID135712520
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol
SMILESOc1nc(NCc2cccs2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C16H13N5OS/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1-8,22H,9H2,(H2,19,20,21)/b10-7+
InChIKeySHSMPGJQQXAUMA-JXMROGBWSA-N
XLogP3.44
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol?
The IUPAC name of 5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol (CID 135712520) is 5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol.
What is the SMILES notation for 5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol?
The canonical SMILES for 5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol is Oc1nc(NCc2cccs2)[nH]c1/C=C1\C=Nc2ncccc21.
What is the InChIKey of 5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol?
The InChIKey is SHSMPGJQQXAUMA-JXMROGBWSA-N. The full InChI is InChI=1S/C16H13N5OS/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1-8,22H,9H2,(H2,19,20,21)/b10-7+.
What are the key properties of 5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol?
5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol has a molecular weight of 323.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-2-(thiophen-2-ylmethylamino)-1H-imidazol-4-ol is sourced from PubChem (CID 135712520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).