methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate

C20H18FN5O3 — CID 51972042

IUPACmethyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccnc1
InChIInChI=1S/C20H18FN5O3/c1-29-19(27)14-9-13(21)4-5-15(14)25-20(28)26-8-6-16-17(24-11-23-16)18(26)12-3-2-7-22-10-12/h2-5,7,9-11,18H,6,8H2,1H3,(H,23,24)(H,25,28)/t18-/m1/s1
InChIKeyBLEPBBORYDLFMN-GOSISDBHSA-N
MW395.39 g/mol
LogP2.91
Rot. Bonds3

About methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate

methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate (PubChem CID 51972042) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
PubChem CID51972042
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Namemethyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccnc1
InChIInChI=1S/C20H18FN5O3/c1-29-19(27)14-9-13(21)4-5-15(14)25-20(28)26-8-6-16-17(24-11-23-16)18(26)12-3-2-7-22-10-12/h2-5,7,9-11,18H,6,8H2,1H3,(H,23,24)(H,25,28)/t18-/m1/s1
InChIKeyBLEPBBORYDLFMN-GOSISDBHSA-N
XLogP2.91
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The IUPAC name of methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate (CID 51972042) is methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The canonical SMILES for methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate is COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccnc1.
What is the InChIKey of methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The InChIKey is BLEPBBORYDLFMN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-29-19(27)14-9-13(21)4-5-15(14)25-20(28)26-8-6-16-17(24-11-23-16)18(26)12-3-2-7-22-10-12/h2-5,7,9-11,18H,6,8H2,1H3,(H,23,24)(H,25,28)/t18-/m1/s1.
What are the key properties of methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate has a molecular weight of 395.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate is sourced from PubChem (CID 51972042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).