N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide

C30H34F5N7O3 — CID 155355042

IUPACN-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2cc(F)c(-c3cnc(N4C[C@@H](C)O[C@H](C)C4)nc3)c(F)c2NC(=O)c2cn(C)c(=O)cc2C(F)(F)F)CCN1C
InChIInChI=1S/C30H34F5N7O3/c1-16-12-41(7-6-39(16)4)23-9-22(31)25(19-10-36-29(37-11-19)42-13-17(2)45-18(3)14-42)26(32)27(23)38-28(44)20-15-40(5)24(43)8-21(20)30(33,34)35/h8-11,15-18H,6-7,12-14H2,1-5H3,(H,38,44)/t16?,17-,18-/m1/s1
InChIKeyIJUAROWZIQGHKJ-UKKPGEIXSA-N
MW635.64 g/mol
LogP4.15
Rot. Bonds5

About N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide

N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 155355042) has the molecular formula C30H34F5N7O3 and a molecular weight of 635.64 g/mol. Its IUPAC name is N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID155355042
Molecular FormulaC30H34F5N7O3
Molecular Weight635.64 g/mol
Exact Mass635.26
IUPAC NameN-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2cc(F)c(-c3cnc(N4C[C@@H](C)O[C@H](C)C4)nc3)c(F)c2NC(=O)c2cn(C)c(=O)cc2C(F)(F)F)CCN1C
InChIInChI=1S/C30H34F5N7O3/c1-16-12-41(7-6-39(16)4)23-9-22(31)25(19-10-36-29(37-11-19)42-13-17(2)45-18(3)14-42)26(32)27(23)38-28(44)20-15-40(5)24(43)8-21(20)30(33,34)35/h8-11,15-18H,6-7,12-14H2,1-5H3,(H,38,44)/t16?,17-,18-/m1/s1
InChIKeyIJUAROWZIQGHKJ-UKKPGEIXSA-N
XLogP4.15
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.64
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide (CID 155355042) is N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide is CC1CN(c2cc(F)c(-c3cnc(N4C[C@@H](C)O[C@H](C)C4)nc3)c(F)c2NC(=O)c2cn(C)c(=O)cc2C(F)(F)F)CCN1C.
What is the InChIKey of N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IJUAROWZIQGHKJ-UKKPGEIXSA-N. The full InChI is InChI=1S/C30H34F5N7O3/c1-16-12-41(7-6-39(16)4)23-9-22(31)25(19-10-36-29(37-11-19)42-13-17(2)45-18(3)14-42)26(32)27(23)38-28(44)20-15-40(5)24(43)8-21(20)30(33,34)35/h8-11,15-18H,6-7,12-14H2,1-5H3,(H,38,44)/t16?,17-,18-/m1/s1.
What are the key properties of N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 635.64 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-6-(3,4-dimethylpiperazin-1-yl)-2,4-difluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155355042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).