N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C30H32F5N7O3 — CID 150092584

IUPACN-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1cnc(N2CC=C(c3c(F)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)cc(N4C[C@@H](C)N(C)[C@@H](C)C4)c3F)CC2)nc1
InChIInChI=1S/C30H32F5N7O3/c1-16-14-42(15-17(2)40(16)3)23-10-22(39-28(44)20-13-36-24(43)9-21(20)30(33,34)35)26(31)25(27(23)32)18-5-7-41(8-6-18)29-37-11-19(45-4)12-38-29/h5,9-13,16-17H,6-8,14-15H2,1-4H3,(H,36,43)(H,39,44)/t16-,17+
InChIKeyDTNJTNGEIJEXAX-CALCHBBNSA-N
MW633.62 g/mol
LogP4.55
Rot. Bonds6

About N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 150092584) has the molecular formula C30H32F5N7O3 and a molecular weight of 633.62 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID150092584
Molecular FormulaC30H32F5N7O3
Molecular Weight633.62 g/mol
Exact Mass633.25
IUPAC NameN-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1cnc(N2CC=C(c3c(F)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)cc(N4C[C@@H](C)N(C)[C@@H](C)C4)c3F)CC2)nc1
InChIInChI=1S/C30H32F5N7O3/c1-16-14-42(15-17(2)40(16)3)23-10-22(39-28(44)20-13-36-24(43)9-21(20)30(33,34)35)26(31)25(27(23)32)18-5-7-41(8-6-18)29-37-11-19(45-4)12-38-29/h5,9-13,16-17H,6-8,14-15H2,1-4H3,(H,36,43)(H,39,44)/t16-,17+
InChIKeyDTNJTNGEIJEXAX-CALCHBBNSA-N
XLogP4.55
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.62
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3,4-dimethylpiperazin-1-yl)-2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-2,5-dihydropyrrol-3-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155355044
N-[5-[1-[5-[(dimethylamino)methyl]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 137377023
N-[4-fluoro-5-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 137376795
N-[4-fluoro-5-[1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138541587
N-[4-fluoro-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138542485
phenyl 4-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138542593
N-[5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138542237
N-[4-fluoro-5-[1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138542231
N-[6-(3,4-dimethylpiperazin-1-yl)-2,4-difluoro-3-[1-(5-hydroxypyrimidin-2-yl)-2,5-dihydropyrrol-3-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138458734
4-[4-[5-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S)-3,4,5-trimethylpiperazin-1-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-4-oxobutanoic acid
CID 145360045
N-[4-fluoro-5-[1-[5-(morpholin-4-ylmethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-5-yl]-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138542333
(1-methylcyclobutyl) 4-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138542378

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 150092584) is N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is COc1cnc(N2CC=C(c3c(F)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)cc(N4C[C@@H](C)N(C)[C@@H](C)C4)c3F)CC2)nc1.
What is the InChIKey of N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DTNJTNGEIJEXAX-CALCHBBNSA-N. The full InChI is InChI=1S/C30H32F5N7O3/c1-16-14-42(15-17(2)40(16)3)23-10-22(39-28(44)20-13-36-24(43)9-21(20)30(33,34)35)26(31)25(27(23)32)18-5-7-41(8-6-18)29-37-11-19(45-4)12-38-29/h5,9-13,16-17H,6-8,14-15H2,1-4H3,(H,36,43)(H,39,44)/t16-,17+.
What are the key properties of N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 633.62 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 150092584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).