N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C42H43FN6O5 — CID 135344652

IUPACN-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(-c3c(C)cccc3F)cc3cc(NC(=O)C4C(C)C4c4cnn(C)c4)ncc23)c(OC)c1
InChIInChI=1S/C42H43FN6O5/c1-24-9-8-10-33(43)38(24)34-15-28-16-37(47-42(50)40-25(2)39(40)29-19-45-48(3)21-29)44-20-32(28)41(46-34)49(22-26-11-13-30(51-4)17-35(26)53-6)23-27-12-14-31(52-5)18-36(27)54-7/h8-21,25,39-40H,22-23H2,1-7H3,(H,44,47,50)
InChIKeyHSWQFPZSPKTMOV-UHFFFAOYSA-N
MW730.84 g/mol
LogP7.71
Rot. Bonds13

About N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344652) has the molecular formula C42H43FN6O5 and a molecular weight of 730.84 g/mol. Its IUPAC name is N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344652
Molecular FormulaC42H43FN6O5
Molecular Weight730.84 g/mol
Exact Mass730.33
IUPAC NameN-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(-c3c(C)cccc3F)cc3cc(NC(=O)C4C(C)C4c4cnn(C)c4)ncc23)c(OC)c1
InChIInChI=1S/C42H43FN6O5/c1-24-9-8-10-33(43)38(24)34-15-28-16-37(47-42(50)40-25(2)39(40)29-19-45-48(3)21-29)44-20-32(28)41(46-34)49(22-26-11-13-30(51-4)17-35(26)53-6)23-27-12-14-31(52-5)18-36(27)54-7/h8-21,25,39-40H,22-23H2,1-7H3,(H,44,47,50)
InChIKeyHSWQFPZSPKTMOV-UHFFFAOYSA-N
XLogP7.71
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.84
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344652) is N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is COc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(-c3c(C)cccc3F)cc3cc(NC(=O)C4C(C)C4c4cnn(C)c4)ncc23)c(OC)c1.
What is the InChIKey of N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is HSWQFPZSPKTMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43FN6O5/c1-24-9-8-10-33(43)38(24)34-15-28-16-37(47-42(50)40-25(2)39(40)29-19-45-48(3)21-29)44-20-32(28)41(46-34)49(22-26-11-13-30(51-4)17-35(26)53-6)23-27-12-14-31(52-5)18-36(27)54-7/h8-21,25,39-40H,22-23H2,1-7H3,(H,44,47,50).
What are the key properties of N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 730.84 g/mol, XLogP of 7.71, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).