1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C19H15FN4O2S — CID 3582348

IUPAC1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cn1
InChIInChI=1S/C19H15FN4O2S/c1-11-15-9-16(18(25)22-13-5-8-17(26-2)21-10-13)27-19(15)24(23-11)14-6-3-12(20)4-7-14/h3-10H,1-2H3,(H,22,25)
InChIKeyQQNHTWUMBMGERX-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.19
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3582348) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3582348
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cn1
InChIInChI=1S/C19H15FN4O2S/c1-11-15-9-16(18(25)22-13-5-8-17(26-2)21-10-13)27-19(15)24(23-11)14-6-3-12(20)4-7-14/h3-10H,1-2H3,(H,22,25)
InChIKeyQQNHTWUMBMGERX-UHFFFAOYSA-N
XLogP4.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3882124
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8885373
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53008862
1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 52894174
1-(4-fluorophenyl)-3-methyl-N-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 18107121
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
methyl 3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-2-hydroxybenzoate
CID 56542996
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
[2-(4-methoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 4802609
1-(4-fluorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46636549
methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 38986276

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 3582348) is 1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QQNHTWUMBMGERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-11-15-9-16(18(25)22-13-5-8-17(26-2)21-10-13)27-19(15)24(23-11)14-6-3-12(20)4-7-14/h3-10H,1-2H3,(H,22,25).
What are the key properties of 1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3582348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).