7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

C25H28N6O — CID 155099382

IUPAC7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCN[C@@H]2CC[C@@H](c3ccccc3)OC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C25H28N6O/c26-23-15-21(24-25(28-23)30-31-29-24)20(17-7-3-1-4-8-17)13-14-27-19-11-12-22(32-16-19)18-9-5-2-6-10-18/h1-10,15,19-20,22,27H,11-14,16H2,(H3,26,28,29,30,31)/t19-,20?,22+/m1/s1
InChIKeyWBQKPMCSWFRWPE-OBIJOXKXSA-N
MW428.54 g/mol
LogP3.97
Rot. Bonds7

About 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 155099382) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID155099382
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCN[C@@H]2CC[C@@H](c3ccccc3)OC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C25H28N6O/c26-23-15-21(24-25(28-23)30-31-29-24)20(17-7-3-1-4-8-17)13-14-27-19-11-12-22(32-16-19)18-9-5-2-6-10-18/h1-10,15,19-20,22,27H,11-14,16H2,(H3,26,28,29,30,31)/t19-,20?,22+/m1/s1
InChIKeyWBQKPMCSWFRWPE-OBIJOXKXSA-N
XLogP3.97
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371733
7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431144
7-[1-phenyl-3-[(2-phenyl-2,3-dihydro-1H-inden-1-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371847
7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099329
7-[1-(1-cyclopentylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431163
7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099281
7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099344
7-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099348
7-[(1R)-1-phenyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162650581
7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371932
4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]piperidin-2-one
CID 162533926
7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371843

Frequently Asked Questions

What is the IUPAC name of 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 155099382) is 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCN[C@@H]2CC[C@@H](c3ccccc3)OC2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is WBQKPMCSWFRWPE-OBIJOXKXSA-N. The full InChI is InChI=1S/C25H28N6O/c26-23-15-21(24-25(28-23)30-31-29-24)20(17-7-3-1-4-8-17)13-14-27-19-11-12-22(32-16-19)18-9-5-2-6-10-18/h1-10,15,19-20,22,27H,11-14,16H2,(H3,26,28,29,30,31)/t19-,20?,22+/m1/s1.
What are the key properties of 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 428.54 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 155099382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).