6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one

C27H21ClN6O — CID 46205251

IUPAC6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
SMILESC#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)n1
InChIInChI=1S/C27H21ClN6O/c1-4-20-6-5-7-23(32-20)21-13-25(35)34(3)26-22(21)12-18(14-31-26)27(29,24-15-30-16-33(24)2)17-8-10-19(28)11-9-17/h1,5-16H,29H2,2-3H3/t27-/m1/s1
InChIKeyWTUUGHPBWIGOHI-HHHXNRCGSA-N
MW480.96 g/mol
LogP3.61
Rot. Bonds4

About 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one

6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 46205251) has the molecular formula C27H21ClN6O and a molecular weight of 480.96 g/mol. Its IUPAC name is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
PubChem CID46205251
Molecular FormulaC27H21ClN6O
Molecular Weight480.96 g/mol
Exact Mass480.15
IUPAC Name6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
SMILESC#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)n1
InChIInChI=1S/C27H21ClN6O/c1-4-20-6-5-7-23(32-20)21-13-25(35)34(3)26-22(21)12-18(14-31-26)27(29,24-15-30-16-33(24)2)17-8-10-19(28)11-9-17/h1,5-16H,29H2,2-3H3/t27-/m1/s1
InChIKeyWTUUGHPBWIGOHI-HHHXNRCGSA-N
XLogP3.61
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one (CID 46205251) is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one is C#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)n1.
What is the InChIKey of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is WTUUGHPBWIGOHI-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H21ClN6O/c1-4-20-6-5-7-23(32-20)21-13-25(35)34(3)26-22(21)12-18(14-31-26)27(29,24-15-30-16-33(24)2)17-8-10-19(28)11-9-17/h1,5-16H,29H2,2-3H3/t27-/m1/s1.
What are the key properties of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 480.96 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 46205251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).