methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate

C20H18FN5O5 — CID 143366697

IUPACmethyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)O4)cnn2C)ccn1
InChIInChI=1S/C20H18FN5O5/c1-26-17(23-9-11-5-6-22-14(7-11)19(28)29-2)13(10-24-26)18(27)25-12-3-4-15-16(8-12)31-20(21)30-15/h3-8,10,20,23H,9H2,1-2H3,(H,25,27)
InChIKeyWGDKRGXOLJFJAD-UHFFFAOYSA-N
MW427.39 g/mol
LogP2.49
Rot. Bonds6

About methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate

methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate (PubChem CID 143366697) has the molecular formula C20H18FN5O5 and a molecular weight of 427.39 g/mol. Its IUPAC name is methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate
PubChem CID143366697
Molecular FormulaC20H18FN5O5
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Namemethyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)O4)cnn2C)ccn1
InChIInChI=1S/C20H18FN5O5/c1-26-17(23-9-11-5-6-22-14(7-11)19(28)29-2)13(10-24-26)18(27)25-12-3-4-15-16(8-12)31-20(21)30-15/h3-8,10,20,23H,9H2,1-2H3,(H,25,27)
InChIKeyWGDKRGXOLJFJAD-UHFFFAOYSA-N
XLogP2.49
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

5-[[2-(2-hydroxyethylcarbamoylamino)-4-pyridinyl]methylamino]-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 143366657
[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]carbamic acid
CID 69107534
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxylic acid
CID 59848965
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-4-fluoroanilino]methyl]-N,N-dimethylpyridine-2-carboxamide
CID 59848899
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide
CID 11561411
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide
CID 68820475
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 59848902
methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate
CID 159924030
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate
CID 15719002
methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate
CID 178146269

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate (CID 143366697) is methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate is COC(=O)c1cc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)O4)cnn2C)ccn1.
What is the InChIKey of methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate?
The InChIKey is WGDKRGXOLJFJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O5/c1-26-17(23-9-11-5-6-22-14(7-11)19(28)29-2)13(10-24-26)18(27)25-12-3-4-15-16(8-12)31-20(21)30-15/h3-8,10,20,23H,9H2,1-2H3,(H,25,27).
What are the key properties of methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate?
methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate has a molecular weight of 427.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-[(2-fluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 143366697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).