[1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol

C27H32N6O — CID 145371889

IUPAC[1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol
SMILESNc1cc(C(CCNC2(CO)CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C27H32N6O/c28-24-17-23(25-26(30-24)32-33-31-25)22(21-9-5-2-6-10-21)13-16-29-27(18-34)14-11-20(12-15-27)19-7-3-1-4-8-19/h1-10,17,20,22,29,34H,11-16,18H2,(H3,28,30,31,32,33)
InChIKeyPGEZRHHOUNIUCV-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.14
Rot. Bonds8

About [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol

[1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol (PubChem CID 145371889) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol
PubChem CID145371889
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name[1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol
SMILESNc1cc(C(CCNC2(CO)CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C27H32N6O/c28-24-17-23(25-26(30-24)32-33-31-25)22(21-9-5-2-6-10-21)13-16-29-27(18-34)14-11-20(12-15-27)19-7-3-1-4-8-19/h1-10,17,20,22,29,34H,11-16,18H2,(H3,28,30,31,32,33)
InChIKeyPGEZRHHOUNIUCV-UHFFFAOYSA-N
XLogP4.14
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol with MolForge

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Related Compounds

7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431915
7-[(1R)-3-[2-fluoroethyl-(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371869
7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155113178
7-[(1R)-1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162643421
7-[(1R)-1-phenyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162650581
7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162659225
7-[(1R)-3-[methyl-(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162664454
7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162672564
7-[(1R)-3-(benzylamino)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162676863

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol?
The IUPAC name of [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol (CID 145371889) is [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol.
What is the SMILES notation for [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol?
The canonical SMILES for [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol is Nc1cc(C(CCNC2(CO)CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol?
The InChIKey is PGEZRHHOUNIUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c28-24-17-23(25-26(30-24)32-33-31-25)22(21-9-5-2-6-10-21)13-16-29-27(18-34)14-11-20(12-15-27)19-7-3-1-4-8-19/h1-10,17,20,22,29,34H,11-16,18H2,(H3,28,30,31,32,33).
What are the key properties of [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol?
[1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol has a molecular weight of 456.59 g/mol, XLogP of 4.14, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol is sourced from PubChem (CID 145371889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).