7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one

C35H21ClFN9O2 — CID 155170961

IUPAC7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one
SMILESCn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccnc(-c3cc(-c4nc5[nH]ccc(=O)c5cc4-c4ccncc4F)ccn3)c2Cl)n1
InChIInChI=1S/C35H21ClFN9O2/c1-46-13-7-26(45-46)32-22(16-24-29(48)6-12-42-35(24)44-32)20-4-10-40-33(30(20)36)27-14-18(2-9-39-27)31-21(19-3-8-38-17-25(19)37)15-23-28(47)5-11-41-34(23)43-31/h2-17H,1H3,(H,41,43,47)(H,42,44,48)
InChIKeyXXZWXNVJPMJWJT-UHFFFAOYSA-N
MW654.07 g/mol
LogP6.21
Rot. Bonds5

About 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one

7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one (PubChem CID 155170961) has the molecular formula C35H21ClFN9O2 and a molecular weight of 654.07 g/mol. Its IUPAC name is 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one
PubChem CID155170961
Molecular FormulaC35H21ClFN9O2
Molecular Weight654.07 g/mol
Exact Mass653.15
IUPAC Name7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one
SMILESCn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccnc(-c3cc(-c4nc5[nH]ccc(=O)c5cc4-c4ccncc4F)ccn3)c2Cl)n1
InChIInChI=1S/C35H21ClFN9O2/c1-46-13-7-26(45-46)32-22(16-24-29(48)6-12-42-35(24)44-32)20-4-10-40-33(30(20)36)27-14-18(2-9-39-27)31-21(19-3-8-38-17-25(19)37)15-23-28(47)5-11-41-34(23)43-31/h2-17H,1H3,(H,41,43,47)(H,42,44,48)
InChIKeyXXZWXNVJPMJWJT-UHFFFAOYSA-N
XLogP6.21
TPSA147.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.07
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one (CID 155170961) is 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one is Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccnc(-c3cc(-c4nc5[nH]ccc(=O)c5cc4-c4ccncc4F)ccn3)c2Cl)n1.
What is the InChIKey of 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one?
The InChIKey is XXZWXNVJPMJWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21ClFN9O2/c1-46-13-7-26(45-46)32-22(16-24-29(48)6-12-42-35(24)44-32)20-4-10-40-33(30(20)36)27-14-18(2-9-39-27)31-21(19-3-8-38-17-25(19)37)15-23-28(47)5-11-41-34(23)43-31/h2-17H,1H3,(H,41,43,47)(H,42,44,48).
What are the key properties of 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one?
7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one has a molecular weight of 654.07 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-chloro-4-[2-(1-methylpyrazol-3-yl)-5-oxo-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]-4-pyridinyl]-6-(3-fluoro-4-pyridinyl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).