4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol

C27H35N7O2 — CID 138687002

IUPAC4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(C5CCC(O)CC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H35N7O2/c1-17(2)24-25(18-14-22(36-3)27-28-16-29-34(27)15-18)30-21-8-9-23(31-26(21)24)33-12-10-32(11-13-33)19-4-6-20(35)7-5-19/h8-9,14-17,19-20,30,35H,4-7,10-13H2,1-3H3
InChIKeySCNLXPIQHVOZTB-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.83
Rot. Bonds5

About 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol

4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol (PubChem CID 138687002) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol
PubChem CID138687002
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(C5CCC(O)CC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H35N7O2/c1-17(2)24-25(18-14-22(36-3)27-28-16-29-34(27)15-18)30-21-8-9-23(31-26(21)24)33-12-10-32(11-13-33)19-4-6-20(35)7-5-19/h8-9,14-17,19-20,30,35H,4-7,10-13H2,1-3H3
InChIKeySCNLXPIQHVOZTB-UHFFFAOYSA-N
XLogP3.83
TPSA94.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

AZ-Tak1
CID 71543324
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
3-(2-(2-methoxybenzyl)-1H-benzo[d]imidazol-6-yl)-1-((trans)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218687
(2S)-1-[4-[4-[[7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 57390492
(2S)-1-[4-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57390669
(2S)-1-[4-[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 57394024
8-(4-Methoxyphenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199121
1-[3-tert-butyl-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrazol-4-yl]pyrazol-5-yl]-3-[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 86345490
2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,4-dimethyl-6-piperidin-4-yl-9H-carbazole
CID 156213234
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol
CID 164620295
Pyrazolo[1,5-a]pyrimidine derivative 26
CID 58386265
N-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
CID 54764682

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol (CID 138687002) is 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol is COc1cc(-c2[nH]c3ccc(N4CCN(C5CCC(O)CC5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol?
The InChIKey is SCNLXPIQHVOZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-17(2)24-25(18-14-22(36-3)27-28-16-29-34(27)15-18)30-21-8-9-23(31-26(21)24)33-12-10-32(11-13-33)19-4-6-20(35)7-5-19/h8-9,14-17,19-20,30,35H,4-7,10-13H2,1-3H3.
What are the key properties of 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol?
4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol has a molecular weight of 489.62 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 138687002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).