N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide

C24H27FN6O2 — CID 163947751

IUPACN-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide
SMILES[2H]C([2H])([2H])n1nc(CN(C)C(=O)c2ccc(F)cc2[C@@H](C)Oc2cc(C)cnc2N(C)C)cc1C#N
InChIInChI=1S/C24H27FN6O2/c1-15-9-22(23(27-13-15)29(3)4)33-16(2)21-10-17(25)7-8-20(21)24(32)30(5)14-18-11-19(12-26)31(6)28-18/h7-11,13,16H,14H2,1-6H3/t16-/m1/s1/i6D3
InChIKeyRWPYIHAUDCVNPW-JUCBDPAFSA-N
MW453.54 g/mol
LogP3.61
Rot. Bonds8

About N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide

N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide (PubChem CID 163947751) has the molecular formula C24H27FN6O2 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide
PubChem CID163947751
Molecular FormulaC24H27FN6O2
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC NameN-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide
SMILES[2H]C([2H])([2H])n1nc(CN(C)C(=O)c2ccc(F)cc2[C@@H](C)Oc2cc(C)cnc2N(C)C)cc1C#N
InChIInChI=1S/C24H27FN6O2/c1-15-9-22(23(27-13-15)29(3)4)33-16(2)21-10-17(25)7-8-20(21)24(32)30(5)14-18-11-19(12-26)31(6)28-18/h7-11,13,16H,14H2,1-6H3/t16-/m1/s1/i6D3
InChIKeyRWPYIHAUDCVNPW-JUCBDPAFSA-N
XLogP3.61
TPSA87.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide with MolForge

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Related Compounds

2-[(1R)-1-[(2-amino-5-methyl-3-pyridinyl)oxy]ethyl]-N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 163416145
2-[(1R)-1-[[5-bromo-2-(diacetylamino)-3-pyridinyl]oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzamide
CID 134950184
2-[(1R)-1-[(2-amino-5-iodo-3-pyridinyl)oxy]ethyl]-4-fluoro-N-methyl-N-(2H-triazol-4-ylmethyl)benzamide
CID 149091650
2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(3-ethyl-1,2-thiazol-5-yl)methyl]-4-fluoro-N-methylbenzamide
CID 123693630
(1E)-N-[2-[[2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoyl]-methylamino]ethoxy]prop-2-enimidoyl cyanide
CID 129268655
2-[1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminooxy)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid
CID 123825714
2-[1-[(2-amino-5-ethyl-3-pyridinyl)oxy]ethyl]-N-[(1-cyclobutyl-4,5-dihydrotriazol-4-yl)methyl]-4-fluoro-N-methylbenzamide
CID 123605254
methyl 2-[1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate
CID 123453476
N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-3-cyclopentyl-N-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176503136
2-[1-[[2-amino-5-[6-methyl-2-(methylaminomethyl)imidazo[1,2-a]pyrimidin-3-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid
CID 123947019
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339
4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
CID 112702416

Frequently Asked Questions

What is the IUPAC name of N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide (CID 163947751) is N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide is [2H]C([2H])([2H])n1nc(CN(C)C(=O)c2ccc(F)cc2[C@@H](C)Oc2cc(C)cnc2N(C)C)cc1C#N.
What is the InChIKey of N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide?
The InChIKey is RWPYIHAUDCVNPW-JUCBDPAFSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-15-9-22(23(27-13-15)29(3)4)33-16(2)21-10-17(25)7-8-20(21)24(32)30(5)14-18-11-19(12-26)31(6)28-18/h7-11,13,16H,14H2,1-6H3/t16-/m1/s1/i6D3.
What are the key properties of N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide?
N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide has a molecular weight of 453.54 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-cyano-1-(trideuteriomethyl)pyrazol-3-yl]methyl]-2-[(1R)-1-[[2-(dimethylamino)-5-methyl-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 163947751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).