N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide

C19H17F2N5OS — CID 118609412

IUPACN-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(F)cccc2F)cc1C1=CCCN(c2nccs2)C1
InChIInChI=1S/C19H17F2N5OS/c1-25-16(12-4-3-8-26(11-12)19-22-7-9-28-19)10-15(24-25)18(27)23-17-13(20)5-2-6-14(17)21/h2,4-7,9-10H,3,8,11H2,1H3,(H,23,27)
InChIKeyCDLMFUZBALWWRY-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.70
Rot. Bonds4

About N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide

N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide (PubChem CID 118609412) has the molecular formula C19H17F2N5OS and a molecular weight of 401.44 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
PubChem CID118609412
Molecular FormulaC19H17F2N5OS
Molecular Weight401.44 g/mol
Exact Mass401.11
IUPAC NameN-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(F)cccc2F)cc1C1=CCCN(c2nccs2)C1
InChIInChI=1S/C19H17F2N5OS/c1-25-16(12-4-3-8-26(11-12)19-22-7-9-28-19)10-15(24-25)18(27)23-17-13(20)5-2-6-14(17)21/h2,4-7,9-10H,3,8,11H2,1H3,(H,23,27)
InChIKeyCDLMFUZBALWWRY-UHFFFAOYSA-N
XLogP3.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide (CID 118609412) is N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2c(F)cccc2F)cc1C1=CCCN(c2nccs2)C1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide?
The InChIKey is CDLMFUZBALWWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5OS/c1-25-16(12-4-3-8-26(11-12)19-22-7-9-28-19)10-15(24-25)18(27)23-17-13(20)5-2-6-14(17)21/h2,4-7,9-10H,3,8,11H2,1H3,(H,23,27).
What are the key properties of N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide?
N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 118609412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).