N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane

C57H55BClF6N11O2 — CID 158326208

IUPACN-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane
SMILESC=CB1CC(C)(C)C(C)(C)C1.C=Cc1nc2nc(CC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C.CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(Cl)nc2n1
InChIInChI=1S/C25H20F3N5O.C22H16ClF3N6O.C10H19B/c1-4-20-19(10-16-13-30-22(5-2)33-23(16)32-20)18-12-17(7-6-14(18)3)31-24(34)15-8-9-29-21(11-15)25(26,27)28;1-11-3-4-14(30-20(33)12-5-6-28-17(8-12)22(24,25)26)9-15(11)16-7-13-10-29-21(27-2)32-19(13)31-18(16)23;1-6-11-7-9(2,3)10(4,5)8-11/h4,6-13H,1,5H2,2-3H3,(H,31,34);3-10H,1-2H3,(H,30,33)(H,27,29,31,32);6H,1,7-8H2,2-5H3
InChIKeyGPLBBUSYUWBUQT-UHFFFAOYSA-N
MW1086.39 g/mol
LogP14.51
Rot. Bonds10

About N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane

N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane (PubChem CID 158326208) has the molecular formula C57H55BClF6N11O2 and a molecular weight of 1086.39 g/mol. Its IUPAC name is N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane.

Molecular Properties

Compound NameN-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane
PubChem CID158326208
Molecular FormulaC57H55BClF6N11O2
Molecular Weight1086.39 g/mol
Exact Mass1085.42
IUPAC NameN-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane
SMILESC=CB1CC(C)(C)C(C)(C)C1.C=Cc1nc2nc(CC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C.CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(Cl)nc2n1
InChIInChI=1S/C25H20F3N5O.C22H16ClF3N6O.C10H19B/c1-4-20-19(10-16-13-30-22(5-2)33-23(16)32-20)18-12-17(7-6-14(18)3)31-24(34)15-8-9-29-21(11-15)25(26,27)28;1-11-3-4-14(30-20(33)12-5-6-28-17(8-12)22(24,25)26)9-15(11)16-7-13-10-29-21(27-2)32-19(13)31-18(16)23;1-6-11-7-9(2,3)10(4,5)8-11/h4,6-13H,1,5H2,2-3H3,(H,31,34);3-10H,1-2H3,(H,30,33)(H,27,29,31,32);6H,1,7-8H2,2-5H3
InChIKeyGPLBBUSYUWBUQT-UHFFFAOYSA-N
XLogP14.51
TPSA173.35 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001086.39
LogP ≤ 514.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane with MolForge

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Related Compounds

US10927111, Example 64
CID 155253596
US10927111, Example 32
CID 155253597
US10927111, Example 6
CID 155253599
US10927111, Example 49
CID 155253600
US10927111, Example 76
CID 155253602
US10927111, Example 27
CID 155253604
US10927111, Example 39
CID 155253607
US10927111, Example 41
CID 155253611
US10927111, Example 53
CID 155253628
US10927111, Example 67
CID 155253631
US10927111, Example 38
CID 155253635
US10927111, Example 73
CID 155253671

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane?
The IUPAC name of N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane (CID 158326208) is N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane.
What is the SMILES notation for N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane?
The canonical SMILES for N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane is C=CB1CC(C)(C)C(C)(C)C1.C=Cc1nc2nc(CC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C.CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(Cl)nc2n1.
What is the InChIKey of N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane?
The InChIKey is GPLBBUSYUWBUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O.C22H16ClF3N6O.C10H19B/c1-4-20-19(10-16-13-30-22(5-2)33-23(16)32-20)18-12-17(7-6-14(18)3)31-24(34)15-8-9-29-21(11-15)25(26,27)28;1-11-3-4-14(30-20(33)12-5-6-28-17(8-12)22(24,25)26)9-15(11)16-7-13-10-29-21(27-2)32-19(13)31-18(16)23;1-6-11-7-9(2,3)10(4,5)8-11/h4,6-13H,1,5H2,2-3H3,(H,31,34);3-10H,1-2H3,(H,30,33)(H,27,29,31,32);6H,1,7-8H2,2-5H3.
What are the key properties of N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane?
N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane has a molecular weight of 1086.39 g/mol, XLogP of 14.51, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane is sourced from PubChem (CID 158326208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).