methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate

C19H16N6O3S — CID 167984624

IUPACmethyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cnn(C)c2)cc1NC(=O)c1cnn(-c2ccccn2)c1
InChIInChI=1S/C19H16N6O3S/c1-24-10-12(8-21-24)15-7-14(17(29-15)19(27)28-2)23-18(26)13-9-22-25(11-13)16-5-3-4-6-20-16/h3-11H,1-2H3,(H,23,26)
InChIKeyBKMBDQDHVLHDGE-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.77
Rot. Bonds5

About methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate

methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 167984624) has the molecular formula C19H16N6O3S and a molecular weight of 408.44 g/mol. Its IUPAC name is methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate
PubChem CID167984624
Molecular FormulaC19H16N6O3S
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC Namemethyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cnn(C)c2)cc1NC(=O)c1cnn(-c2ccccn2)c1
InChIInChI=1S/C19H16N6O3S/c1-24-10-12(8-21-24)15-7-14(17(29-15)19(27)28-2)23-18(26)13-9-22-25(11-13)16-5-3-4-6-20-16/h3-11H,1-2H3,(H,23,26)
InChIKeyBKMBDQDHVLHDGE-UHFFFAOYSA-N
XLogP2.77
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate with MolForge

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Related Compounds

N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 45256977
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
1-pyridin-2-ylpyrazole-4-carbonyl chloride
CID 83814309
methyl 3-[(4-methylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565351
methyl 3-[(4-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565786
N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 141233579
1-(2-chlorophenyl)-N-(2-methoxy-3-pyridinyl)pyrazole-4-carboxamide
CID 49161240
1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide
CID 110471594
methyl 3-[(5-bromothiophene-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 5018015
methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate
CID 154774915
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
2-methoxy-4-(1-pyridin-2-ylpyrazol-4-yl)benzamide
CID 167872524

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate (CID 167984624) is methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sc(-c2cnn(C)c2)cc1NC(=O)c1cnn(-c2ccccn2)c1.
What is the InChIKey of methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is BKMBDQDHVLHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S/c1-24-10-12(8-21-24)15-7-14(17(29-15)19(27)28-2)23-18(26)13-9-22-25(11-13)16-5-3-4-6-20-16/h3-11H,1-2H3,(H,23,26).
What are the key properties of methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate?
methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 408.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-methylpyrazol-4-yl)-3-[(1-pyridin-2-ylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 167984624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).