6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide

C27H21BrFN7O — CID 11192198

IUPAC6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NCCNc1ccccn1)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
InChIInChI=1S/C27H21BrFN7O/c28-22-6-2-1-5-20(22)21-15-17-16-33-27(34-19-10-8-18(29)9-11-19)36-25(17)35-24(21)26(37)32-14-13-31-23-7-3-4-12-30-23/h1-12,15-16H,13-14H2,(H,30,31)(H,32,37)(H,33,34,35,36)
InChIKeyAIQWTSWYUJRYJW-UHFFFAOYSA-N
MW558.42 g/mol
LogP5.57
Rot. Bonds8

About 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide

6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 11192198) has the molecular formula C27H21BrFN7O and a molecular weight of 558.42 g/mol. Its IUPAC name is 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID11192198
Molecular FormulaC27H21BrFN7O
Molecular Weight558.42 g/mol
Exact Mass557.10
IUPAC Name6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NCCNc1ccccn1)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
InChIInChI=1S/C27H21BrFN7O/c28-22-6-2-1-5-20(22)21-15-17-16-33-27(34-19-10-8-18(29)9-11-19)36-25(17)35-24(21)26(37)32-14-13-31-23-7-3-4-12-30-23/h1-12,15-16H,13-14H2,(H,30,31)(H,32,37)(H,33,34,35,36)
InChIKeyAIQWTSWYUJRYJW-UHFFFAOYSA-N
XLogP5.57
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.42
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(s)-2-(1-(6-Amino-5-cyanopyrimidin-4-ylamino)ethyl)-n-ethyl-6-fluoro-3-(pyridin-2-yl)quinoline-4-carboxamide
CID 59634709
3-amino-N-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68187352
3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyridin-3-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68187418
2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444992
2-amino-8-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 127025020
2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 127025021
4-(2-(5-bromo-2-fluorophenyl)pteridin-4-ylamino)-N-(3-(2-oxopyrrolidin-1-yl)propyl)nicotinamide
CID 11955790
[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-[3-(quinazolin-4-ylamino)phenyl]methanone
CID 53249003
3-amino-N-[4-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68161865
3-amino-N-[4-(6-aminopyrimidin-4-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68162522
5-[5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-2-carboxamide
CID 68204942
(3R)-3-amino-1-[4-(1,8-naphthyridine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70693040

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide (CID 11192198) is 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide is O=C(NCCNc1ccccn1)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br.
What is the InChIKey of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is AIQWTSWYUJRYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrFN7O/c28-22-6-2-1-5-20(22)21-15-17-16-33-27(34-19-10-8-18(29)9-11-19)36-25(17)35-24(21)26(37)32-14-13-31-23-7-3-4-12-30-23/h1-12,15-16H,13-14H2,(H,30,31)(H,32,37)(H,33,34,35,36).
What are the key properties of 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 558.42 g/mol, XLogP of 5.57, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(pyridin-2-ylamino)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 11192198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).