2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine

C20H18FN7 — CID 134605763

IUPAC2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine
SMILESC[C@H](Nc1cc(Nc2ncn(-c3ccccc3)n2)ccn1)c1ccc(F)cn1
InChIInChI=1S/C20H18FN7/c1-14(18-8-7-15(21)12-23-18)25-19-11-16(9-10-22-19)26-20-24-13-28(27-20)17-5-3-2-4-6-17/h2-14H,1H3,(H2,22,25,26,27)/t14-/m0/s1
InChIKeyVZDCAKRCUWTXDL-AWEZNQCLSA-N
MW375.41 g/mol
LogP4.11
Rot. Bonds6

About 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine

2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine (PubChem CID 134605763) has the molecular formula C20H18FN7 and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine
PubChem CID134605763
Molecular FormulaC20H18FN7
Molecular Weight375.41 g/mol
Exact Mass375.16
IUPAC Name2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine
SMILESC[C@H](Nc1cc(Nc2ncn(-c3ccccc3)n2)ccn1)c1ccc(F)cn1
InChIInChI=1S/C20H18FN7/c1-14(18-8-7-15(21)12-23-18)25-19-11-16(9-10-22-19)26-20-24-13-28(27-20)17-5-3-2-4-6-17/h2-14H,1H3,(H2,22,25,26,27)/t14-/m0/s1
InChIKeyVZDCAKRCUWTXDL-AWEZNQCLSA-N
XLogP4.11
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine with MolForge

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589818
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
CID 89400370
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine
CID 114251941
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-nitroaniline
CID 83117361
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589402
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
4-[(1-phenyl-1,2,4-triazol-3-yl)amino]-2-propan-2-yloxybenzonitrile
CID 134589185

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine (CID 134605763) is 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine is C[C@H](Nc1cc(Nc2ncn(-c3ccccc3)n2)ccn1)c1ccc(F)cn1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine?
The InChIKey is VZDCAKRCUWTXDL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18FN7/c1-14(18-8-7-15(21)12-23-18)25-19-11-16(9-10-22-19)26-20-24-13-28(27-20)17-5-3-2-4-6-17/h2-14H,1H3,(H2,22,25,26,27)/t14-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine?
2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine has a molecular weight of 375.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 134605763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).