4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol

C13H13N3O — CID 118672098

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC(Nc2cnc3[nH]ccc3c2)=CC1
InChIInChI=1S/C13H13N3O/c17-12-3-1-10(2-4-12)16-11-7-9-5-6-14-13(9)15-8-11/h1-3,5-8,12,16-17H,4H2,(H,14,15)
InChIKeyUMJOYCLWTIHQDX-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.18
Rot. Bonds2

About 4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol

4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 118672098) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol
PubChem CID118672098
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC(Nc2cnc3[nH]ccc3c2)=CC1
InChIInChI=1S/C13H13N3O/c17-12-3-1-10(2-4-12)16-11-7-9-5-6-14-13(9)15-8-11/h1-3,5-8,12,16-17H,4H2,(H,14,15)
InChIKeyUMJOYCLWTIHQDX-UHFFFAOYSA-N
XLogP2.18
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol (CID 118672098) is 4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol is OC1C=CC(Nc2cnc3[nH]ccc3c2)=CC1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is UMJOYCLWTIHQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-12-3-1-10(2-4-12)16-11-7-9-5-6-14-13(9)15-8-11/h1-3,5-8,12,16-17H,4H2,(H,14,15).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol?
4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 227.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 118672098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).