1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

C22H24FN5S — CID 3193477

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C2=CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1
InChIInChI=1S/C22H24FN5S/c23-18-9-7-16(8-10-18)17-11-13-27(14-12-17)21(20-6-3-15-29-20)22-24-25-26-28(22)19-4-1-2-5-19/h3,6-11,15,19,21H,1-2,4-5,12-14H2
InChIKeyCXBVHAYPGUXUFY-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.87
Rot. Bonds5

About 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 3193477) has the molecular formula C22H24FN5S and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID3193477
Molecular FormulaC22H24FN5S
Molecular Weight409.53 g/mol
Exact Mass409.17
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C2=CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1
InChIInChI=1S/C22H24FN5S/c23-18-9-7-16(8-10-18)17-11-13-27(14-12-17)21(20-6-3-15-29-20)22-24-25-26-28(22)19-4-1-2-5-19/h3,6-11,15,19,21H,1-2,4-5,12-14H2
InChIKeyCXBVHAYPGUXUFY-UHFFFAOYSA-N
XLogP4.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
CID 1438561
1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1438445
7-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1160995
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3193437
4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 1431340
4-[4-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 3193444
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
1-(3-chlorophenyl)-4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 1431474
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443
1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 5186741
4-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140874
1-benzyl-4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine
CID 1443040

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 3193477) is 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is Fc1ccc(C2=CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is CXBVHAYPGUXUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5S/c23-18-9-7-16(8-10-18)17-11-13-27(14-12-17)21(20-6-3-15-29-20)22-24-25-26-28(22)19-4-1-2-5-19/h3,6-11,15,19,21H,1-2,4-5,12-14H2.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 409.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3193477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).