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

C27H32N6O — CID 145371876

IUPAC[3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol
SMILESNc1cc(C(CCNC2CCC(c3ccccc3)CC2)c2cccc(CO)c2)c2n[nH]nc2n1
InChIInChI=1S/C27H32N6O/c28-25-16-24(26-27(30-25)32-33-31-26)23(21-8-4-5-18(15-21)17-34)13-14-29-22-11-9-20(10-12-22)19-6-2-1-3-7-19/h1-8,15-16,20,22-23,29,34H,9-14,17H2,(H3,28,30,31,32,33)
InChIKeyBOBWITMESDDNPW-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.27
Rot. Bonds8

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

[3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol (PubChem CID 145371876) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is [3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol
PubChem CID145371876
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name[3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol
SMILESNc1cc(C(CCNC2CCC(c3ccccc3)CC2)c2cccc(CO)c2)c2n[nH]nc2n1
InChIInChI=1S/C27H32N6O/c28-25-16-24(26-27(30-25)32-33-31-26)23(21-8-4-5-18(15-21)17-34)13-14-29-22-11-9-20(10-12-22)19-6-2-1-3-7-19/h1-8,15-16,20,22-23,29,34H,9-14,17H2,(H3,28,30,31,32,33)
InChIKeyBOBWITMESDDNPW-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
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
[3-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711858
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-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162670874
7-[(1R)-3-(benzylamino)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162676863
[4-[3-(1H-indol-3-ylmethyl)-6-phenyl-1,2,4-triazin-5-yl]phenyl]methanol
CID 168271441
[4-[3-(1H-indol-3-ylmethyl)-5-phenyl-1,2,4-triazin-6-yl]phenyl]methanol
CID 168289426
[4-[6-[4-(1-Aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 56644560
[3-Methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
CID 58483597
[4-[4-Amino-7-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 71187479
[4-(4-Amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
CID 71187489

Frequently Asked Questions

What is the IUPAC name of [3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol?
The IUPAC name of [3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol (CID 145371876) is [3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol.
What is the SMILES notation for [3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol?
The canonical SMILES for [3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol is Nc1cc(C(CCNC2CCC(c3ccccc3)CC2)c2cccc(CO)c2)c2n[nH]nc2n1.
What is the InChIKey of [3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol?
The InChIKey is BOBWITMESDDNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c28-25-16-24(26-27(30-25)32-33-31-26)23(21-8-4-5-18(15-21)17-34)13-14-29-22-11-9-20(10-12-22)19-6-2-1-3-7-19/h1-8,15-16,20,22-23,29,34H,9-14,17H2,(H3,28,30,31,32,33).
What are the key properties of [3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol?
[3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol has a molecular weight of 456.59 g/mol, XLogP of 4.27, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol is sourced from PubChem (CID 145371876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).