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

C17H14FN5O — CID 95852005

IUPACN-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccc(-c2cc(CNCc3ccco3)c3nnnn3c2)cc1
InChIInChI=1S/C17H14FN5O/c18-15-5-3-12(4-6-15)14-8-13(17-20-21-22-23(17)11-14)9-19-10-16-2-1-7-24-16/h1-8,11,19H,9-10H2
InChIKeyYPWOPVKKFCKDHI-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.81
Rot. Bonds5

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

N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 95852005) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID95852005
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC NameN-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccc(-c2cc(CNCc3ccco3)c3nnnn3c2)cc1
InChIInChI=1S/C17H14FN5O/c18-15-5-3-12(4-6-15)14-8-13(17-20-21-22-23(17)11-14)9-19-10-16-2-1-7-24-16/h1-8,11,19H,9-10H2
InChIKeyYPWOPVKKFCKDHI-UHFFFAOYSA-N
XLogP2.81
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine with MolForge

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Related Compounds

(2S)-N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 95852026
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
2-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)ethanamine
CID 78955642
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(furan-2-yl)methanamine
CID 25381885
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine
CID 47052543
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
CID 51365941
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62573014
1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine
CID 4713632
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126457174

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine (CID 95852005) is N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine is Fc1ccc(-c2cc(CNCc3ccco3)c3nnnn3c2)cc1.
What is the InChIKey of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is YPWOPVKKFCKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-15-5-3-12(4-6-15)14-8-13(17-20-21-22-23(17)11-14)9-19-10-16-2-1-7-24-16/h1-8,11,19H,9-10H2.
What are the key properties of N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 323.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 95852005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).