7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

C25H28FN7 — CID 130431144

IUPAC7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNC2CCC(c3ccccc3)CC2)c2cncc(F)c2)c2n[nH]nc2n1
InChIInChI=1S/C25H28FN7/c26-19-12-18(14-28-15-19)21(22-13-23(27)30-25-24(22)31-33-32-25)10-11-29-20-8-6-17(7-9-20)16-4-2-1-3-5-16/h1-5,12-15,17,20-21,29H,6-11H2,(H3,27,30,31,32,33)
InChIKeyTYYYFCDRXDIZSL-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.31
Rot. Bonds7

About 7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130431144) has the molecular formula C25H28FN7 and a molecular weight of 445.55 g/mol. Its IUPAC name is 7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130431144
Molecular FormulaC25H28FN7
Molecular Weight445.55 g/mol
Exact Mass445.24
IUPAC Name7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNC2CCC(c3ccccc3)CC2)c2cncc(F)c2)c2n[nH]nc2n1
InChIInChI=1S/C25H28FN7/c26-19-12-18(14-28-15-19)21(22-13-23(27)30-25-24(22)31-33-32-25)10-11-29-20-8-6-17(7-9-20)16-4-2-1-3-5-16/h1-5,12-15,17,20-21,29H,6-11H2,(H3,27,30,31,32,33)
InChIKeyTYYYFCDRXDIZSL-UHFFFAOYSA-N
XLogP4.31
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130431144) is 7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCNC2CCC(c3ccccc3)CC2)c2cncc(F)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is TYYYFCDRXDIZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7/c26-19-12-18(14-28-15-19)21(22-13-23(27)30-25-24(22)31-33-32-25)10-11-29-20-8-6-17(7-9-20)16-4-2-1-3-5-16/h1-5,12-15,17,20-21,29H,6-11H2,(H3,27,30,31,32,33).
What are the key properties of 7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 445.55 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130431144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).