[(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol

C28H36N6O2 — CID 138686432

IUPAC[(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N5CCC[C@H]5CO)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H36N6O2/c1-17(2)25-26(19-13-24(36-3)28-29-16-30-34(28)14-19)32-23-11-10-22(31-27(23)25)18-6-8-20(9-7-18)33-12-4-5-21(33)15-35/h10-11,13-14,16-18,20-21,32,35H,4-9,12,15H2,1-3H3/t18?,20?,21-/m0/s1
InChIKeyYWTVSVNSIZECDU-MNLRITNHSA-N
MW488.64 g/mol
LogP4.89
Rot. Bonds6

About [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol

[(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol (PubChem CID 138686432) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol
PubChem CID138686432
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name[(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N5CCC[C@H]5CO)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H36N6O2/c1-17(2)25-26(19-13-24(36-3)28-29-16-30-34(28)14-19)32-23-11-10-22(31-27(23)25)18-6-8-20(9-7-18)33-12-4-5-21(33)15-35/h10-11,13-14,16-18,20-21,32,35H,4-9,12,15H2,1-3H3/t18?,20?,21-/m0/s1
InChIKeyYWTVSVNSIZECDU-MNLRITNHSA-N
XLogP4.89
TPSA91.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

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
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
(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
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
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
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol
CID 164621280
5-[5-Isopropyl-6-(3-piperidin-1-yl-propoxy)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-2-methyl-phenol
CID 44389982
6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732961
(2S)-2-[[6-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162651768
(2R)-1-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
CID 24884826

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol (CID 138686432) is [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol is COc1cc(-c2[nH]c3ccc(C4CCC(N5CCC[C@H]5CO)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol?
The InChIKey is YWTVSVNSIZECDU-MNLRITNHSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-17(2)25-26(19-13-24(36-3)28-29-16-30-34(28)14-19)32-23-11-10-22(31-27(23)25)18-6-8-20(9-7-18)33-12-4-5-21(33)15-35/h10-11,13-14,16-18,20-21,32,35H,4-9,12,15H2,1-3H3/t18?,20?,21-/m0/s1.
What are the key properties of [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol has a molecular weight of 488.64 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[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]cyclohexyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 138686432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).