N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

C24H24F3N5OS — CID 156735018

IUPACN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCc4cccc(F)c4C3)CC2)s1
InChIInChI=1S/C24H24F3N5OS/c25-16-10-20(27)21(28-11-16)12-29-23(33)22-13-30-24(34-22)31-8-5-17(6-9-31)32-7-4-15-2-1-3-19(26)18(15)14-32/h1-3,10-11,13,17H,4-9,12,14H2,(H,29,33)
InChIKeyHJGRRONNDXXLSC-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.91
Rot. Bonds5

About N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 156735018) has the molecular formula C24H24F3N5OS and a molecular weight of 487.55 g/mol. Its IUPAC name is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID156735018
Molecular FormulaC24H24F3N5OS
Molecular Weight487.55 g/mol
Exact Mass487.17
IUPAC NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCc4cccc(F)c4C3)CC2)s1
InChIInChI=1S/C24H24F3N5OS/c25-16-10-20(27)21(28-11-16)12-29-23(33)22-13-30-24(34-22)31-8-5-17(6-9-31)32-7-4-15-2-1-3-19(26)18(15)14-32/h1-3,10-11,13,17H,4-9,12,14H2,(H,29,33)
InChIKeyHJGRRONNDXXLSC-UHFFFAOYSA-N
XLogP3.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735161
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 156735204
(7R)-2-amino-7-[4-fluoro-2-(2-methoxy-1,3-thiazol-5-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57462516
US20240000767, Example 134
CID 156735003
US20240000767, Example 103
CID 156735053
US20240000767, Example 130
CID 156735061
US20240000767, Example 133
CID 156735066
US20240000767, Example 69
CID 156735067
US20240000767, Example 65
CID 156735073
US12540134, Example 127
CID 156735214
US20240000767, Example 59
CID 156735224
US20240000767, Example 117
CID 162434999

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 156735018) is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCc4cccc(F)c4C3)CC2)s1.
What is the InChIKey of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is HJGRRONNDXXLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5OS/c25-16-10-20(27)21(28-11-16)12-29-23(33)22-13-30-24(34-22)31-8-5-17(6-9-31)32-7-4-15-2-1-3-19(26)18(15)14-32/h1-3,10-11,13,17H,4-9,12,14H2,(H,29,33).
What are the key properties of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 487.55 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).