7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

C25H29N7 — CID 145371733

IUPAC7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNC2CCC(c3cccnc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C25H29N7/c26-23-15-22(24-25(29-23)31-32-30-24)21(18-5-2-1-3-6-18)12-14-28-20-10-8-17(9-11-20)19-7-4-13-27-16-19/h1-7,13,15-17,20-21,28H,8-12,14H2,(H3,26,29,30,31,32)
InChIKeyDNBFRRVTUXHAKX-UHFFFAOYSA-N
MW427.56 g/mol
LogP4.17
Rot. Bonds7

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

7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 145371733) has the molecular formula C25H29N7 and a molecular weight of 427.56 g/mol. Its IUPAC name is 7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID145371733
Molecular FormulaC25H29N7
Molecular Weight427.56 g/mol
Exact Mass427.25
IUPAC Name7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNC2CCC(c3cccnc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C25H29N7/c26-23-15-22(24-25(29-23)31-32-30-24)21(18-5-2-1-3-6-18)12-14-28-20-10-8-17(9-11-20)19-7-4-13-27-16-19/h1-7,13,15-17,20-21,28H,8-12,14H2,(H3,26,29,30,31,32)
InChIKeyDNBFRRVTUXHAKX-UHFFFAOYSA-N
XLogP4.17
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 145371733) is 7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCNC2CCC(c3cccnc3)CC2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DNBFRRVTUXHAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7/c26-23-15-22(24-25(29-23)31-32-30-24)21(18-5-2-1-3-6-18)12-14-28-20-10-8-17(9-11-20)19-7-4-13-27-16-19/h1-7,13,15-17,20-21,28H,8-12,14H2,(H3,26,29,30,31,32).
What are the key properties of 7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 427.56 g/mol, XLogP of 4.17, 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-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 145371733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).