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

C16H17N5O2 — CID 135712530

IUPAC2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(NCC2CCCO2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C16H17N5O2/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/h1,4-5,7-8,11,22H,2-3,6,9H2,(H2,19,20,21)/b10-7+
InChIKeyAXLGOIFCGKRMCG-JXMROGBWSA-N
MW311.34 g/mol
LogP2.36
Rot. Bonds4

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

2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 135712530) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID135712530
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(NCC2CCCO2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C16H17N5O2/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/h1,4-5,7-8,11,22H,2-3,6,9H2,(H2,19,20,21)/b10-7+
InChIKeyAXLGOIFCGKRMCG-JXMROGBWSA-N
XLogP2.36
TPSA95.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (CID 135712530) is 2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is Oc1nc(NCC2CCCO2)[nH]c1/C=C1\C=Nc2ncccc21.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The InChIKey is AXLGOIFCGKRMCG-JXMROGBWSA-N. The full InChI is InChI=1S/C16H17N5O2/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/h1,4-5,7-8,11,22H,2-3,6,9H2,(H2,19,20,21)/b10-7+.
What are the key properties of 2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 311.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is sourced from PubChem (CID 135712530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).