[6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol

C25H31N7O2 — CID 138686594

IUPAC[6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
SMILESCC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(N3CCC(NC4COC4)CC3)nc12
InChIInChI=1S/C25H31N7O2/c1-15(2)22-23(16-9-17(11-33)25-26-14-27-32(25)10-16)29-20-3-4-21(30-24(20)22)31-7-5-18(6-8-31)28-19-12-34-13-19/h3-4,9-10,14-15,18-19,28-29,33H,5-8,11-13H2,1-2H3
InChIKeyVJERTKRTXYGJAX-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.85
Rot. Bonds6

About [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol

[6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol (PubChem CID 138686594) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
PubChem CID138686594
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name[6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
SMILESCC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(N3CCC(NC4COC4)CC3)nc12
InChIInChI=1S/C25H31N7O2/c1-15(2)22-23(16-9-17(11-33)25-26-14-27-32(25)10-16)29-20-3-4-21(30-24(20)22)31-7-5-18(6-8-31)28-19-12-34-13-19/h3-4,9-10,14-15,18-19,28-29,33H,5-8,11-13H2,1-2H3
InChIKeyVJERTKRTXYGJAX-UHFFFAOYSA-N
XLogP2.85
TPSA103.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jnj-42396302
CID 51352628
2-{[2-(4-{5-[(1-ethyl-1H-pyrazol-3-yl)amino]-1H-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl}phenyl)propan-2-yl]oxy}ethan-1-ol
CID 90655897
(2R)-2-[(2S)-4-[5-fluoro-3-(hydroxymethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 53354478
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720891
US10023576, Example 63
CID 130362847
US10214537, Example 90
CID 130363112
US10214537, Example 98
CID 130363463
[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-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol
CID 42635322
{3-[4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl}methanol
CID 42635504
[3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]methanol
CID 46885624
[4-[[5-(1-Ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186263

Frequently Asked Questions

What is the IUPAC name of [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
The IUPAC name of [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol (CID 138686594) is [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol.
What is the SMILES notation for [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
The canonical SMILES for [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol is CC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(N3CCC(NC4COC4)CC3)nc12.
What is the InChIKey of [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
The InChIKey is VJERTKRTXYGJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-15(2)22-23(16-9-17(11-33)25-26-14-27-32(25)10-16)29-20-3-4-21(30-24(20)22)31-7-5-18(6-8-31)28-19-12-34-13-19/h3-4,9-10,14-15,18-19,28-29,33H,5-8,11-13H2,1-2H3.
What are the key properties of [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
[6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol has a molecular weight of 461.57 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-[4-(oxetan-3-ylamino)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol is sourced from PubChem (CID 138686594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).