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

C14H13N5O — CID 135712518

IUPAC2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(NC2CC2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C14H13N5O/c20-13-11(18-14(19-13)17-9-3-4-9)6-8-7-16-12-10(8)2-1-5-15-12/h1-2,5-7,9,20H,3-4H2,(H2,17,18,19)/b8-6+
InChIKeyFEXWNMVAGPFYBJ-SOFGYWHQSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds3

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

2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 135712518) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID135712518
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(NC2CC2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C14H13N5O/c20-13-11(18-14(19-13)17-9-3-4-9)6-8-7-16-12-10(8)2-1-5-15-12/h1-2,5-7,9,20H,3-4H2,(H2,17,18,19)/b8-6+
InChIKeyFEXWNMVAGPFYBJ-SOFGYWHQSA-N
XLogP2.34
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (CID 135712518) is 2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is Oc1nc(NC2CC2)[nH]c1/C=C1\C=Nc2ncccc21.
What is the InChIKey of 2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The InChIKey is FEXWNMVAGPFYBJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H13N5O/c20-13-11(18-14(19-13)17-9-3-4-9)6-8-7-16-12-10(8)2-1-5-15-12/h1-2,5-7,9,20H,3-4H2,(H2,17,18,19)/b8-6+.
What are the key properties of 2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 267.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is sourced from PubChem (CID 135712518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).