2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol

C13H18N4O — CID 167803018

IUPAC2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol
SMILESCC(O)(CNc1ccnc2nc[nH]c12)C1CCC1
InChIInChI=1S/C13H18N4O/c1-13(18,9-3-2-4-9)7-15-10-5-6-14-12-11(10)16-8-17-12/h5-6,8-9,18H,2-4,7H2,1H3,(H2,14,15,16,17)
InChIKeyIXYRSAVYXJSGQC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.92
Rot. Bonds4

About 2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol

2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol (PubChem CID 167803018) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol
PubChem CID167803018
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol
SMILESCC(O)(CNc1ccnc2nc[nH]c12)C1CCC1
InChIInChI=1S/C13H18N4O/c1-13(18,9-3-2-4-9)7-15-10-5-6-14-12-11(10)16-8-17-12/h5-6,8-9,18H,2-4,7H2,1H3,(H2,14,15,16,17)
InChIKeyIXYRSAVYXJSGQC-UHFFFAOYSA-N
XLogP1.92
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol?
The IUPAC name of 2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol (CID 167803018) is 2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol.
What is the SMILES notation for 2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol?
The canonical SMILES for 2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol is CC(O)(CNc1ccnc2nc[nH]c12)C1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol?
The InChIKey is IXYRSAVYXJSGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(18,9-3-2-4-9)7-15-10-5-6-14-12-11(10)16-8-17-12/h5-6,8-9,18H,2-4,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol?
2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1H-imidazo[4,5-b]pyridin-7-ylamino)propan-2-ol is sourced from PubChem (CID 167803018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).