N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C19H20FN5OS — CID 138584987

IUPACN-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(N(C(=O)c2cccs2)c2ccn(-c3ccncc3F)n2)CC1
InChIInChI=1S/C19H20FN5OS/c1-23-9-5-14(6-10-23)25(19(26)17-3-2-12-27-17)18-7-11-24(22-18)16-4-8-21-13-15(16)20/h2-4,7-8,11-14H,5-6,9-10H2,1H3
InChIKeyXZVPVNUTGUDIDJ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.21
Rot. Bonds4

About N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 138584987) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID138584987
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC NameN-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(N(C(=O)c2cccs2)c2ccn(-c3ccncc3F)n2)CC1
InChIInChI=1S/C19H20FN5OS/c1-23-9-5-14(6-10-23)25(19(26)17-3-2-12-27-17)18-7-11-24(22-18)16-4-8-21-13-15(16)20/h2-4,7-8,11-14H,5-6,9-10H2,1H3
InChIKeyXZVPVNUTGUDIDJ-UHFFFAOYSA-N
XLogP3.21
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10577360, Example 1
CID 132010851
US10577360, Example 82
CID 132035905
US10577360, Example 119
CID 132036168
US10577360, Example 93
CID 132036346
US10577360, Example 92
CID 132036348
US10577360, Example 91
CID 138584940
US10577360, Example 22
CID 138584975
US10577360, Example 8
CID 138585171
Thiophene-2-carboxylic acid ethyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 647461
N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 652991
US10577360, Example 58
CID 132010542
US10577360, Example 57
CID 132010901

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 138584987) is N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is CN1CCC(N(C(=O)c2cccs2)c2ccn(-c3ccncc3F)n2)CC1.
What is the InChIKey of N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is XZVPVNUTGUDIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-23-9-5-14(6-10-23)25(19(26)17-3-2-12-27-17)18-7-11-24(22-18)16-4-8-21-13-15(16)20/h2-4,7-8,11-14H,5-6,9-10H2,1H3.
What are the key properties of N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 138584987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).