6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide

C24H20BrFN6O — CID 69033081

IUPAC6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NN1CCCC1)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
InChIInChI=1S/C24H20BrFN6O/c25-20-6-2-1-5-18(20)19-13-15-14-27-24(28-17-9-7-16(26)8-10-17)30-22(15)29-21(19)23(33)31-32-11-3-4-12-32/h1-2,5-10,13-14H,3-4,11-12H2,(H,31,33)(H,27,28,29,30)
InChIKeyLKGNZCIAQNOXJI-UHFFFAOYSA-N
MW507.37 g/mol
LogP5.08
Rot. Bonds5

About 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide

6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 69033081) has the molecular formula C24H20BrFN6O and a molecular weight of 507.37 g/mol. Its IUPAC name is 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID69033081
Molecular FormulaC24H20BrFN6O
Molecular Weight507.37 g/mol
Exact Mass506.09
IUPAC Name6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NN1CCCC1)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
InChIInChI=1S/C24H20BrFN6O/c25-20-6-2-1-5-18(20)19-13-15-14-27-24(28-17-9-7-16(26)8-10-17)30-22(15)29-21(19)23(33)31-32-11-3-4-12-32/h1-2,5-10,13-14H,3-4,11-12H2,(H,31,33)(H,27,28,29,30)
InChIKeyLKGNZCIAQNOXJI-UHFFFAOYSA-N
XLogP5.08
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.37
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 90963952
6-(2-bromophenyl)-2-(4-fluoroanilino)-N-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11444441
6-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11489332
6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11283858
6-(2-bromophenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11466925
[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-hydroxyethyl)carbamate
CID 69033925
6-(2-bromophenyl)-N-(2-hydroxyethyl)-2-(3-methylsulfinylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11318463
2-(4-morpholin-4-ylanilino)-6-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxylic acid
CID 68819126
N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11612977
[6-(2-bromophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-yl] carbamate
CID 69034386
[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249311
2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11561848

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide (CID 69033081) is 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide is O=C(NN1CCCC1)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br.
What is the InChIKey of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is LKGNZCIAQNOXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrFN6O/c25-20-6-2-1-5-18(20)19-13-15-14-27-24(28-17-9-7-16(26)8-10-17)30-22(15)29-21(19)23(33)31-32-11-3-4-12-32/h1-2,5-10,13-14H,3-4,11-12H2,(H,31,33)(H,27,28,29,30).
What are the key properties of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide?
6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 507.37 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 69033081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).