N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide

C27H25F2N5OS — CID 118614858

IUPACN-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
SMILESCC1=C(c2cc(C(=O)Nc3c(F)cccc3F)nn2C)CN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C27H25F2N5OS/c1-17-11-12-34(14-19-16-36-27(30-19)18-7-4-3-5-8-18)15-20(17)24-13-23(32-33(24)2)26(35)31-25-21(28)9-6-10-22(25)29/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,31,35)
InChIKeyMNPCJDKKWROHQV-UHFFFAOYSA-N
MW505.59 g/mol
LogP5.75
Rot. Bonds6

About N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide

N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide (PubChem CID 118614858) has the molecular formula C27H25F2N5OS and a molecular weight of 505.59 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
PubChem CID118614858
Molecular FormulaC27H25F2N5OS
Molecular Weight505.59 g/mol
Exact Mass505.17
IUPAC NameN-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
SMILESCC1=C(c2cc(C(=O)Nc3c(F)cccc3F)nn2C)CN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C27H25F2N5OS/c1-17-11-12-34(14-19-16-36-27(30-19)18-7-4-3-5-8-18)15-20(17)24-13-23(32-33(24)2)26(35)31-25-21(28)9-6-10-22(25)29/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,31,35)
InChIKeyMNPCJDKKWROHQV-UHFFFAOYSA-N
XLogP5.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.59
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134049519
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
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
N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 30040462
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 55683750
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 91810757
(2S)-N-(3,4-difluorophenyl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 30739495
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid
CID 142463610
methyl 3-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]benzoate
CID 30410977
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2579290
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CID 120703470

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide (CID 118614858) is N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide is CC1=C(c2cc(C(=O)Nc3c(F)cccc3F)nn2C)CN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide?
The InChIKey is MNPCJDKKWROHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5OS/c1-17-11-12-34(14-19-16-36-27(30-19)18-7-4-3-5-8-18)15-20(17)24-13-23(32-33(24)2)26(35)31-25-21(28)9-6-10-22(25)29/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,31,35).
What are the key properties of N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide?
N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide has a molecular weight of 505.59 g/mol, XLogP of 5.75, 6 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-[4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 118614858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).