8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide

C27H21Cl2N5O3 — CID 154942289

IUPAC8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide
SMILESO=C1CN(c2c(C(=O)N[C@H]3CCOc4ccccc43)cnc3c(-c4cc(Cl)cc(Cl)c4)nccc23)CN1
InChIInChI=1S/C27H21Cl2N5O3/c28-16-9-15(10-17(29)11-16)24-25-19(5-7-30-24)26(34-13-23(35)32-14-34)20(12-31-25)27(36)33-21-6-8-37-22-4-2-1-3-18(21)22/h1-5,7,9-12,21H,6,8,13-14H2,(H,32,35)(H,33,36)/t21-/m0/s1
InChIKeyPDVZYUJPEWAOGC-NRFANRHFSA-N
MW534.40 g/mol
LogP4.75
Rot. Bonds4

About 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide

8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide (PubChem CID 154942289) has the molecular formula C27H21Cl2N5O3 and a molecular weight of 534.40 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide
PubChem CID154942289
Molecular FormulaC27H21Cl2N5O3
Molecular Weight534.40 g/mol
Exact Mass533.10
IUPAC Name8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide
SMILESO=C1CN(c2c(C(=O)N[C@H]3CCOc4ccccc43)cnc3c(-c4cc(Cl)cc(Cl)c4)nccc23)CN1
InChIInChI=1S/C27H21Cl2N5O3/c28-16-9-15(10-17(29)11-16)24-25-19(5-7-30-24)26(34-13-23(35)32-14-34)20(12-31-25)27(36)33-21-6-8-37-22-4-2-1-3-18(21)22/h1-5,7,9-12,21H,6,8,13-14H2,(H,32,35)(H,33,36)/t21-/m0/s1
InChIKeyPDVZYUJPEWAOGC-NRFANRHFSA-N
XLogP4.75
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.40
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide with MolForge

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Related Compounds

8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
CID 154942201
4-(azetidin-1-yl)-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134511570
N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154942170
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-yl-1,5-naphthyridine-3-carboxamide
CID 137372253
1-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylamino)isoquinoline-6-carboxamide
CID 152677178
8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154951312
4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide
CID 168863146
7-chloro-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,5-naphthyridine-3-carboxamide
CID 146501502
8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 163512853
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide
CID 154942273
6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide
CID 163397192

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide (CID 154942289) is 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide is O=C1CN(c2c(C(=O)N[C@H]3CCOc4ccccc43)cnc3c(-c4cc(Cl)cc(Cl)c4)nccc23)CN1.
What is the InChIKey of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide?
The InChIKey is PDVZYUJPEWAOGC-NRFANRHFSA-N. The full InChI is InChI=1S/C27H21Cl2N5O3/c28-16-9-15(10-17(29)11-16)24-25-19(5-7-30-24)26(34-13-23(35)32-14-34)20(12-31-25)27(36)33-21-6-8-37-22-4-2-1-3-18(21)22/h1-5,7,9-12,21H,6,8,13-14H2,(H,32,35)(H,33,36)/t21-/m0/s1.
What are the key properties of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide?
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide has a molecular weight of 534.40 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 154942289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).