trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol

C25H26N8O — CID 139321387

IUPACtrans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1ccnc(Nc2ccc3c(n2)N(Cc2ccc4ncccc4c2)NN3)c1
InChIInChI=1S/C25H26N8O/c34-22-5-1-4-20(22)28-18-10-12-27-24(14-18)29-23-9-8-21-25(30-23)33(32-31-21)15-16-6-7-19-17(13-16)3-2-11-26-19/h2-3,6-14,20,22,31-32,34H,1,4-5,15H2,(H2,27,28,29,30)/t20-,22-/m1/s1
InChIKeyNOLYGVLWZOXEJB-IFMALSPDSA-N
MW454.54 g/mol
LogP3.95
Rot. Bonds6

About trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol

trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol (PubChem CID 139321387) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol
PubChem CID139321387
Molecular FormulaC25H26N8O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC Nametrans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1ccnc(Nc2ccc3c(n2)N(Cc2ccc4ncccc4c2)NN3)c1
InChIInChI=1S/C25H26N8O/c34-22-5-1-4-20(22)28-18-10-12-27-24(14-18)29-23-9-8-21-25(30-23)33(32-31-21)15-16-6-7-19-17(13-16)3-2-11-26-19/h2-3,6-14,20,22,31-32,34H,1,4-5,15H2,(H2,27,28,29,30)/t20-,22-/m1/s1
InChIKeyNOLYGVLWZOXEJB-IFMALSPDSA-N
XLogP3.95
TPSA110.26 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 53.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol 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

N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine
CID 167146850
6-[[5-(1H-pyrazol-5-yl)-1,2-dihydrotriazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 118214035
5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde
CID 118214051
N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
CID 118214061
2-fluoro-N-(2-methylpropyl)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123849268
trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol
CID 163885686
2-chloro-N-propoxy-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123460431
2-chloro-N-(2-hydroxypropoxy)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123181910
N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
CID 118214070
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
N-pyridin-2-yl-4-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 110267405
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol (CID 139321387) is trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Nc1ccnc(Nc2ccc3c(n2)N(Cc2ccc4ncccc4c2)NN3)c1.
What is the InChIKey of trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol?
The InChIKey is NOLYGVLWZOXEJB-IFMALSPDSA-N. The full InChI is InChI=1S/C25H26N8O/c34-22-5-1-4-20(22)28-18-10-12-27-24(14-18)29-23-9-8-21-25(30-23)33(32-31-21)15-16-6-7-19-17(13-16)3-2-11-26-19/h2-3,6-14,20,22,31-32,34H,1,4-5,15H2,(H2,27,28,29,30)/t20-,22-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol has a molecular weight of 454.54 g/mol, XLogP of 3.95, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 139321387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).