6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide

C25H24BrFN6O — CID 11283858

IUPAC6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCC(CN(C)C)NC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
InChIInChI=1S/C25H24BrFN6O/c1-15(14-33(2)3)29-24(34)22-20(19-6-4-5-7-21(19)26)12-16-13-28-25(32-23(16)31-22)30-18-10-8-17(27)9-11-18/h4-13,15H,14H2,1-3H3,(H,29,34)(H,28,30,31,32)
InChIKeyCLLPEGWDSUSZGB-UHFFFAOYSA-N
MW523.41 g/mol
LogP5.02
Rot. Bonds7

About 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide

6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 11283858) has the molecular formula C25H24BrFN6O and a molecular weight of 523.41 g/mol. Its IUPAC name is 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID11283858
Molecular FormulaC25H24BrFN6O
Molecular Weight523.41 g/mol
Exact Mass522.12
IUPAC Name6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCC(CN(C)C)NC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
InChIInChI=1S/C25H24BrFN6O/c1-15(14-33(2)3)29-24(34)22-20(19-6-4-5-7-21(19)26)12-16-13-28-25(32-23(16)31-22)30-18-10-8-17(27)9-11-18/h4-13,15H,14H2,1-3H3,(H,29,34)(H,28,30,31,32)
InChIKeyCLLPEGWDSUSZGB-UHFFFAOYSA-N
XLogP5.02
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.41
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 11283858) is 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide is CC(CN(C)C)NC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br.
What is the InChIKey of 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is CLLPEGWDSUSZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrFN6O/c1-15(14-33(2)3)29-24(34)22-20(19-6-4-5-7-21(19)26)12-16-13-28-25(32-23(16)31-22)30-18-10-8-17(27)9-11-18/h4-13,15H,14H2,1-3H3,(H,29,34)(H,28,30,31,32).
What are the key properties of 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 523.41 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 11283858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).