4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine

C20H21FN6O — CID 73296263

IUPAC4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
SMILESFc1ccc(-c2c3c(nc(N4CCCCC4)c2-c2nn[nH]n2)CCOC3)cc1
InChIInChI=1S/C20H21FN6O/c21-14-6-4-13(5-7-14)17-15-12-28-11-8-16(15)22-20(27-9-2-1-3-10-27)18(17)19-23-25-26-24-19/h4-7H,1-3,8-12H2,(H,23,24,25,26)
InChIKeyMRWSWOQTGWABSN-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.13
Rot. Bonds3

About 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine

4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine (PubChem CID 73296263) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
PubChem CID73296263
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
SMILESFc1ccc(-c2c3c(nc(N4CCCCC4)c2-c2nn[nH]n2)CCOC3)cc1
InChIInChI=1S/C20H21FN6O/c21-14-6-4-13(5-7-14)17-15-12-28-11-8-16(15)22-20(27-9-2-1-3-10-27)18(17)19-23-25-26-24-19/h4-7H,1-3,8-12H2,(H,23,24,25,26)
InChIKeyMRWSWOQTGWABSN-UHFFFAOYSA-N
XLogP3.13
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine (CID 73296263) is 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine is Fc1ccc(-c2c3c(nc(N4CCCCC4)c2-c2nn[nH]n2)CCOC3)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
The InChIKey is MRWSWOQTGWABSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-14-6-4-13(5-7-14)17-15-12-28-11-8-16(15)22-20(27-9-2-1-3-10-27)18(17)19-23-25-26-24-19/h4-7H,1-3,8-12H2,(H,23,24,25,26).
What are the key properties of 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine has a molecular weight of 380.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine is sourced from PubChem (CID 73296263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).