3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol

C14H19N3O — CID 66414856

IUPAC3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCCC(NCc2c[nH]c3ncccc23)C1
InChIInChI=1S/C14H19N3O/c18-12-4-1-3-11(7-12)16-8-10-9-17-14-13(10)5-2-6-15-14/h2,5-6,9,11-12,16,18H,1,3-4,7-8H2,(H,15,17)
InChIKeyYOEFOWYQQJCKTR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.96
Rot. Bonds3

About 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol (PubChem CID 66414856) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol
PubChem CID66414856
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCCC(NCc2c[nH]c3ncccc23)C1
InChIInChI=1S/C14H19N3O/c18-12-4-1-3-11(7-12)16-8-10-9-17-14-13(10)5-2-6-15-14/h2,5-6,9,11-12,16,18H,1,3-4,7-8H2,(H,15,17)
InChIKeyYOEFOWYQQJCKTR-UHFFFAOYSA-N
XLogP1.96
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Slv320
CID 9953065
Cyclohexanol, 3-(2-MethyliMidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)-, (1R,3R)-
CID 56929216
2-(4-hydroxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962820
4-(cyclohexylamino)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,3,5-triazin-2-one
CID 136042390
(3R)-3-phenyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 162667501
trans-(1R,3R)-3-[4-[(1R)-1-hydroxyethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexan-1-ol
CID 58395150
cis-(1R,3S)-3-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol
CID 60170859
6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile
CID 66888114
4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 66888458
(1H-Pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 43156197
4-{8,12,14,16-Tetraazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,8,10,13,15-octaen-9-yl}butan-1-ol
CID 46224938
2-(cyclohexylamino)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-4-one
CID 57394014

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol (CID 66414856) is 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol is OC1CCCC(NCc2c[nH]c3ncccc23)C1.
What is the InChIKey of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol?
The InChIKey is YOEFOWYQQJCKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-12-4-1-3-11(7-12)16-8-10-9-17-14-13(10)5-2-6-15-14/h2,5-6,9,11-12,16,18H,1,3-4,7-8H2,(H,15,17).
What are the key properties of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol?
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 66414856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).