methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate

C19H17FN4O4S — CID 171437006

IUPACmethyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1csc2c(F)cn(C)c(=O)c12
InChIInChI=1S/C19H17FN4O4S/c1-24-7-11(20)16-15(18(24)26)13(8-29-16)22-12-5-14(23-17(25)9-3-4-9)21-6-10(12)19(27)28-2/h5-9H,3-4H2,1-2H3,(H2,21,22,23,25)
InChIKeyBMIQIHOIGSGDJQ-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.01
Rot. Bonds5

About methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate

methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate (PubChem CID 171437006) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate
PubChem CID171437006
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC Namemethyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1csc2c(F)cn(C)c(=O)c12
InChIInChI=1S/C19H17FN4O4S/c1-24-7-11(20)16-15(18(24)26)13(8-29-16)22-12-5-14(23-17(25)9-3-4-9)21-6-10(12)19(27)28-2/h5-9H,3-4H2,1-2H3,(H2,21,22,23,25)
InChIKeyBMIQIHOIGSGDJQ-UHFFFAOYSA-N
XLogP3.01
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate with MolForge

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Related Compounds

3-Ethyl-2-[(3-fluoro-4-pyridinyl)amino]-7-(2-hydroxypropan-2-yl)thieno[3,2-d]pyrimidin-4-one
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CID 99873113
methyl 6-[[2-[[1-[(4-fluorophenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]sulfanyl]acetyl]amino]pyridine-3-carboxylate
CID 16660466
Methyl 3-[[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 36129120
Methyl 5-[6-[(4-fluorobenzoyl)amino]-3-pyridinyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylate
CID 57945237
methyl 6-[3-[(5Z)-5-[[4-(3,4-difluorophenyl)thiophen-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]pyridine-3-carboxylate
CID 58643834
Methyl 3-[[2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 67562461
Methyl 6-[3-[5-[[4-(3,4-difluorophenyl)thiophen-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]pyridine-3-carboxylate
CID 72380366
ethyl 4-[[2-[(3Z)-5-chloro-2-fluorohexa-1,3,5-trien-3-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 142948388
Methyl 2-(4-fluoroanilino)-4-[(5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyrimidine-5-carboxylate
CID 169919422
Methyl 6-(cyclopropanecarbonylamino)-4-[[7-oxo-6-(2,2,2-trifluoroethyl)-3a,6-dihydroisoindol-1-yl]amino]pyridine-3-carboxylate
CID 169960090
methyl 6-(cyclopropanecarbonylamino)-4-[[1-methyl-5-oxo-6-(2,2,2-trifluoroethyl)-6H-indolizin-3-yl]amino]pyridine-3-carboxylate
CID 169960091

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate (CID 171437006) is methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate is COC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1csc2c(F)cn(C)c(=O)c12.
What is the InChIKey of methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is BMIQIHOIGSGDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c1-24-7-11(20)16-15(18(24)26)13(8-29-16)22-12-5-14(23-17(25)9-3-4-9)21-6-10(12)19(27)28-2/h5-9H,3-4H2,1-2H3,(H2,21,22,23,25).
What are the key properties of methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate?
methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 416.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopropanecarbonylamino)-4-[(7-fluoro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 171437006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).