methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C19H20FN3O5 — CID 167783009

IUPACmethyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCc2nn3c(c2C(=O)OC)CCCC3)cc1F
InChIInChI=1S/C19H20FN3O5/c1-27-18(25)12-7-6-11(9-13(12)20)17(24)21-10-14-16(19(26)28-2)15-5-3-4-8-23(15)22-14/h6-7,9H,3-5,8,10H2,1-2H3,(H,21,24)
InChIKeyZEADUXNALOCLTJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP1.86
Rot. Bonds5

About methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 167783009) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID167783009
Molecular FormulaC19H20FN3O5
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Namemethyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCc2nn3c(c2C(=O)OC)CCCC3)cc1F
InChIInChI=1S/C19H20FN3O5/c1-27-18(25)12-7-6-11(9-13(12)20)17(24)21-10-14-16(19(26)28-2)15-5-3-4-8-23(15)22-14/h6-7,9H,3-5,8,10H2,1-2H3,(H,21,24)
InChIKeyZEADUXNALOCLTJ-UHFFFAOYSA-N
XLogP1.86
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 167783009) is methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NCc2nn3c(c2C(=O)OC)CCCC3)cc1F.
What is the InChIKey of methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is ZEADUXNALOCLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5/c1-27-18(25)12-7-6-11(9-13(12)20)17(24)21-10-14-16(19(26)28-2)15-5-3-4-8-23(15)22-14/h6-7,9H,3-5,8,10H2,1-2H3,(H,21,24).
What are the key properties of methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 389.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3-fluoro-4-methoxycarbonylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 167783009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).