N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C28H28F3N7O2 — CID 155253635

IUPACN-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc2cnc(NCCN3CCOCC3)nc2nc1C
InChIInChI=1S/C28H28F3N7O2/c1-17-3-4-21(36-26(39)19-5-6-32-24(14-19)28(29,30)31)15-22(17)23-13-20-16-34-27(37-25(20)35-18(23)2)33-7-8-38-9-11-40-12-10-38/h3-6,13-16H,7-12H2,1-2H3,(H,36,39)(H,33,34,35,37)
InChIKeyZWTYGISVLQCGJX-UHFFFAOYSA-N
MW551.57 g/mol
LogP4.72
Rot. Bonds7

About N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 155253635) has the molecular formula C28H28F3N7O2 and a molecular weight of 551.57 g/mol. Its IUPAC name is N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID155253635
Molecular FormulaC28H28F3N7O2
Molecular Weight551.57 g/mol
Exact Mass551.23
IUPAC NameN-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc2cnc(NCCN3CCOCC3)nc2nc1C
InChIInChI=1S/C28H28F3N7O2/c1-17-3-4-21(36-26(39)19-5-6-32-24(14-19)28(29,30)31)15-22(17)23-13-20-16-34-27(37-25(20)35-18(23)2)33-7-8-38-9-11-40-12-10-38/h3-6,13-16H,7-12H2,1-2H3,(H,36,39)(H,33,34,35,37)
InChIKeyZWTYGISVLQCGJX-UHFFFAOYSA-N
XLogP4.72
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.57
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 155253635) is N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc2cnc(NCCN3CCOCC3)nc2nc1C.
What is the InChIKey of N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is ZWTYGISVLQCGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N7O2/c1-17-3-4-21(36-26(39)19-5-6-32-24(14-19)28(29,30)31)15-22(17)23-13-20-16-34-27(37-25(20)35-18(23)2)33-7-8-38-9-11-40-12-10-38/h3-6,13-16H,7-12H2,1-2H3,(H,36,39)(H,33,34,35,37).
What are the key properties of N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 551.57 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[7-methyl-2-(2-morpholin-4-ylethylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 155253635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).