N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C42H43FN6O5 — CID 140921130

IUPACN-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(OC)cc(C(Cc2ccc(OC)cc2OC)Nc2nc(-c3c(C)cccc3F)cc3cc(NC(=O)C4C(C)C4c4cnn(C)c4)ncc23)c1
InChIInChI=1S/C42H43FN6O5/c1-23-9-8-10-33(43)38(23)35-16-26-17-37(48-42(50)40-24(2)39(40)28-20-45-49(3)22-28)44-21-32(26)41(47-35)46-34(27-13-30(52-5)18-31(14-27)53-6)15-25-11-12-29(51-4)19-36(25)54-7/h8-14,16-22,24,34,39-40H,15H2,1-7H3,(H,46,47)(H,44,48,50)
InChIKeyNWOATLVKLBRDJE-UHFFFAOYSA-N
MW730.84 g/mol
LogP7.90
Rot. Bonds13

About N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 140921130) has the molecular formula C42H43FN6O5 and a molecular weight of 730.84 g/mol. Its IUPAC name is N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]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-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID140921130
Molecular FormulaC42H43FN6O5
Molecular Weight730.84 g/mol
Exact Mass730.33
IUPAC NameN-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(OC)cc(C(Cc2ccc(OC)cc2OC)Nc2nc(-c3c(C)cccc3F)cc3cc(NC(=O)C4C(C)C4c4cnn(C)c4)ncc23)c1
InChIInChI=1S/C42H43FN6O5/c1-23-9-8-10-33(43)38(23)35-16-26-17-37(48-42(50)40-24(2)39(40)28-20-45-49(3)22-28)44-21-32(26)41(47-35)46-34(27-13-30(52-5)18-31(14-27)53-6)15-25-11-12-29(51-4)19-36(25)54-7/h8-14,16-22,24,34,39-40H,15H2,1-7H3,(H,46,47)(H,44,48,50)
InChIKeyNWOATLVKLBRDJE-UHFFFAOYSA-N
XLogP7.90
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.84
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]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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Related Compounds

trans-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344899
(1R,2R)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344900
trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135345455
(1S,2S)-N-[8-amino-6-(5-hydroxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135345532
(2R)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 139468640
2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674090
N-[8-[(2,4-dimethoxyphenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344379
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
N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 158941869
N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 162187007
1-[4-[1-Cyclopropyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[4,3-c]pyridin-3-yl]-2-fluorophenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 165404182
(E)-N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 167130304

Frequently Asked Questions

What is the IUPAC name of N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]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-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 140921130) is N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]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-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]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-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is COc1cc(OC)cc(C(Cc2ccc(OC)cc2OC)Nc2nc(-c3c(C)cccc3F)cc3cc(NC(=O)C4C(C)C4c4cnn(C)c4)ncc23)c1.
What is the InChIKey of N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is NWOATLVKLBRDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43FN6O5/c1-23-9-8-10-33(43)38(23)35-16-26-17-37(48-42(50)40-24(2)39(40)28-20-45-49(3)22-28)44-21-32(26)41(47-35)46-34(27-13-30(52-5)18-31(14-27)53-6)15-25-11-12-29(51-4)19-36(25)54-7/h8-14,16-22,24,34,39-40H,15H2,1-7H3,(H,46,47)(H,44,48,50).
What are the key properties of N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]amino]-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]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 7.90, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[[2-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethyl]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 140921130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).