(2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine

C20H20FN5O — CID 95852026

IUPAC(2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine
SMILESC[C@@H](CCc1ccco1)NCc1cc(-c2ccc(F)cc2)cn2nnnc12
InChIInChI=1S/C20H20FN5O/c1-14(4-9-19-3-2-10-27-19)22-12-16-11-17(13-26-20(16)23-24-25-26)15-5-7-18(21)8-6-15/h2-3,5-8,10-11,13-14,22H,4,9,12H2,1H3/t14-/m0/s1
InChIKeyPHILHLAQKAMLND-AWEZNQCLSA-N
MW365.41 g/mol
LogP3.63
Rot. Bonds7

About (2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine

(2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 95852026) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is (2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID95852026
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name(2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine
SMILESC[C@@H](CCc1ccco1)NCc1cc(-c2ccc(F)cc2)cn2nnnc12
InChIInChI=1S/C20H20FN5O/c1-14(4-9-19-3-2-10-27-19)22-12-16-11-17(13-26-20(16)23-24-25-26)15-5-7-18(21)8-6-15/h2-3,5-8,10-11,13-14,22H,4,9,12H2,1H3/t14-/m0/s1
InChIKeyPHILHLAQKAMLND-AWEZNQCLSA-N
XLogP3.63
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine
CID 95852005
N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43312742
4-fluoro-2-[[4-(furan-2-yl)butan-2-ylamino]methyl]benzonitrile
CID 107904110
1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine
CID 110233638
N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
4-[[4-(furan-2-yl)butan-2-ylamino]methyl]benzene-1,2,3-triol
CID 107730421
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 103776057
4-(furan-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-2-amine
CID 60695653
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202626
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43644966

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of (2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine (CID 95852026) is (2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for (2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for (2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine is C[C@@H](CCc1ccco1)NCc1cc(-c2ccc(F)cc2)cn2nnnc12.
What is the InChIKey of (2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is PHILHLAQKAMLND-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-14(4-9-19-3-2-10-27-19)22-12-16-11-17(13-26-20(16)23-24-25-26)15-5-7-18(21)8-6-15/h2-3,5-8,10-11,13-14,22H,4,9,12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine?
(2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 365.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 95852026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).