2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol

C18H17N5O — CID 127028197

IUPAC2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2cn(-c3c[nH]c4ncccc34)nn2)cc1
InChIInChI=1S/C18H17N5O/c1-18(2,24)13-7-5-12(6-8-13)15-11-23(22-21-15)16-10-20-17-14(16)4-3-9-19-17/h3-11,24H,1-2H3,(H,19,20)
InChIKeyOCXXALMNWDMXSV-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.04
Rot. Bonds3

About 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol

2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol (PubChem CID 127028197) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol
PubChem CID127028197
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2cn(-c3c[nH]c4ncccc34)nn2)cc1
InChIInChI=1S/C18H17N5O/c1-18(2,24)13-7-5-12(6-8-13)15-11-23(22-21-15)16-10-20-17-14(16)4-3-9-19-17/h3-11,24H,1-2H3,(H,19,20)
InChIKeyOCXXALMNWDMXSV-UHFFFAOYSA-N
XLogP3.04
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

RP107
CID 448912
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
[5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridin-3-yl]methanol
CID 146597504
3-(1-Benzyl-1h-1,2,3-Triazol-4-Yl)-1h-Pyrrolo[2,3-B]pyridine
CID 49784217
1-[4-(2,2-Dimethylpropyl)-1h-imidazol-2-yl]-2-[4-(5-fluoropyridin-2-yl)phenyl]propan-2-ol
CID 25026445
1-[4-(2,2-Dimethylpropyl)-1h-imidazol-2-yl]-2-[4-(1h-pyrazol-1-yl)phenyl]propan-2-ol
CID 25026446
1-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexan-1-ol
CID 44142365
1-[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
CID 44539387
rac-1-(1H-Imidazol-4-yl)-2-methyl-1-[4-(2-pyridinyl)phenyl]-1-propanol
CID 54582428
12-[4-(Hydroxymethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 58266769
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
4-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide
CID 136491579

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol (CID 127028197) is 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-c2cn(-c3c[nH]c4ncccc34)nn2)cc1.
What is the InChIKey of 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol?
The InChIKey is OCXXALMNWDMXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-18(2,24)13-7-5-12(6-8-13)15-11-23(22-21-15)16-10-20-17-14(16)4-3-9-19-17/h3-11,24H,1-2H3,(H,19,20).
What are the key properties of 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol?
2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol has a molecular weight of 319.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol is sourced from PubChem (CID 127028197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).