N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide

C36H28FN5O — CID 145245390

IUPACN-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide
SMILESCC1C=C(c2cc3c(-c4cccc(F)c4)cccc3[nH]2)c2cc(-c3cncc(NC(=O)Cc4ccccc4)c3)cnc2N1
InChIInChI=1S/C36H28FN5O/c1-22-13-30(34-18-31-29(11-6-12-33(31)42-34)24-9-5-10-27(37)15-24)32-17-26(20-39-36(32)40-22)25-16-28(21-38-19-25)41-35(43)14-23-7-3-2-4-8-23/h2-13,15-22,42H,14H2,1H3,(H,39,40)(H,41,43)
InChIKeyKQZODFYCGPWVDK-UHFFFAOYSA-N
MW565.65 g/mol
LogP7.86
Rot. Bonds6

About N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide

N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 145245390) has the molecular formula C36H28FN5O and a molecular weight of 565.65 g/mol. Its IUPAC name is N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide
PubChem CID145245390
Molecular FormulaC36H28FN5O
Molecular Weight565.65 g/mol
Exact Mass565.23
IUPAC NameN-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide
SMILESCC1C=C(c2cc3c(-c4cccc(F)c4)cccc3[nH]2)c2cc(-c3cncc(NC(=O)Cc4ccccc4)c3)cnc2N1
InChIInChI=1S/C36H28FN5O/c1-22-13-30(34-18-31-29(11-6-12-33(31)42-34)24-9-5-10-27(37)15-24)32-17-26(20-39-36(32)40-22)25-16-28(21-38-19-25)41-35(43)14-23-7-3-2-4-8-23/h2-13,15-22,42H,14H2,1H3,(H,39,40)(H,41,43)
InChIKeyKQZODFYCGPWVDK-UHFFFAOYSA-N
XLogP7.86
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 57.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137041397
N-[5-[5-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-methyl-8,9-dihydro-7H-pyrido[2,3-c]azepin-3-yl]-3-pyridinyl]-2-phenylacetamide
CID 145037967
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137116482
N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145245632
N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137041335
N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137114114
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137284122
2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137103287
N-[3-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2-phenylacetamide
CID 137087949
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137308415
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 158023221
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137308428

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide (CID 145245390) is N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide is CC1C=C(c2cc3c(-c4cccc(F)c4)cccc3[nH]2)c2cc(-c3cncc(NC(=O)Cc4ccccc4)c3)cnc2N1.
What is the InChIKey of N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is KQZODFYCGPWVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28FN5O/c1-22-13-30(34-18-31-29(11-6-12-33(31)42-34)24-9-5-10-27(37)15-24)32-17-26(20-39-36(32)40-22)25-16-28(21-38-19-25)41-35(43)14-23-7-3-2-4-8-23/h2-13,15-22,42H,14H2,1H3,(H,39,40)(H,41,43).
What are the key properties of N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide?
N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 565.65 g/mol, XLogP of 7.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 145245390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).