7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine

C24H24FN5 — CID 159767747

IUPAC7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCC[C@H]2CCc3cc(F)ccc32)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C24H24FN5/c25-18-11-12-19-16(9-10-17(19)13-18)7-4-8-20(15-5-2-1-3-6-15)21-14-22(26)27-24-23(21)28-30-29-24/h1-3,5-6,11-14,16,20H,4,7-10H2,(H3,26,27,28,29,30)/t16-,20?/m0/s1
InChIKeyNFSIXMSPQJFDJR-DJZRFWRSSA-N
MW401.49 g/mol
LogP5.11
Rot. Bonds6

About 7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 159767747) has the molecular formula C24H24FN5 and a molecular weight of 401.49 g/mol. Its IUPAC name is 7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID159767747
Molecular FormulaC24H24FN5
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCC[C@H]2CCc3cc(F)ccc32)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C24H24FN5/c25-18-11-12-19-16(9-10-17(19)13-18)7-4-8-20(15-5-2-1-3-6-15)21-14-22(26)27-24-23(21)28-30-29-24/h1-3,5-6,11-14,16,20H,4,7-10H2,(H3,26,27,28,29,30)/t16-,20?/m0/s1
InChIKeyNFSIXMSPQJFDJR-DJZRFWRSSA-N
XLogP5.11
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 159767747) is 7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCC[C@H]2CCc3cc(F)ccc32)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is NFSIXMSPQJFDJR-DJZRFWRSSA-N. The full InChI is InChI=1S/C24H24FN5/c25-18-11-12-19-16(9-10-17(19)13-18)7-4-8-20(15-5-2-1-3-6-15)21-14-22(26)27-24-23(21)28-30-29-24/h1-3,5-6,11-14,16,20H,4,7-10H2,(H3,26,27,28,29,30)/t16-,20?/m0/s1.
What are the key properties of 7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 401.49 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 159767747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).