(4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C17H15FN4O2S — CID 95870487

IUPAC(4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)[C@H]1c2nc[nH]c2CCN1Cc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H15FN4O2S/c18-11-3-1-10(2-4-11)13-8-25-14(21-13)7-22-6-5-12-15(20-9-19-12)16(22)17(23)24/h1-4,8-9,16H,5-7H2,(H,19,20)(H,23,24)/t16-/m1/s1
InChIKeyFXOAFIRWMVUKEI-MRXNPFEDSA-N
MW358.40 g/mol
LogP2.86
Rot. Bonds4

About (4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

(4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 95870487) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is (4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID95870487
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name(4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)[C@H]1c2nc[nH]c2CCN1Cc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H15FN4O2S/c18-11-3-1-10(2-4-11)13-8-25-14(21-13)7-22-6-5-12-15(20-9-19-12)16(22)17(23)24/h1-4,8-9,16H,5-7H2,(H,19,20)(H,23,24)/t16-/m1/s1
InChIKeyFXOAFIRWMVUKEI-MRXNPFEDSA-N
XLogP2.86
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of (4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 95870487) is (4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for (4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for (4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)[C@H]1c2nc[nH]c2CCN1Cc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of (4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is FXOAFIRWMVUKEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c18-11-3-1-10(2-4-11)13-8-25-14(21-13)7-22-6-5-12-15(20-9-19-12)16(22)17(23)24/h1-4,8-9,16H,5-7H2,(H,19,20)(H,23,24)/t16-/m1/s1.
What are the key properties of (4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
(4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 95870487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).