methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

C32H32ClFN4O5 — CID 73052833

IUPACmethyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(OC)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1
InChIInChI=1S/C32H32ClFN4O5/c1-18-5-4-6-26(38-14-12-20(16-28(38)39)29-27(42-2)10-9-23(33)30(29)34)25-15-19(11-13-35-25)22-8-7-21(36-32(41)43-3)17-24(22)37-31(18)40/h7-11,13,15-18,26H,4-6,12,14H2,1-3H3,(H,36,41)(H,37,40)/t18-,26+/m1/s1
InChIKeyNVKNABMCMNHCSO-DWXRJYCRSA-N
MW607.08 g/mol
LogP6.84
Rot. Bonds4

About methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate (PubChem CID 73052833) has the molecular formula C32H32ClFN4O5 and a molecular weight of 607.08 g/mol. Its IUPAC name is methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
PubChem CID73052833
Molecular FormulaC32H32ClFN4O5
Molecular Weight607.08 g/mol
Exact Mass606.20
IUPAC Namemethyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(OC)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1
InChIInChI=1S/C32H32ClFN4O5/c1-18-5-4-6-26(38-14-12-20(16-28(38)39)29-27(42-2)10-9-23(33)30(29)34)25-15-19(11-13-35-25)22-8-7-21(36-32(41)43-3)17-24(22)37-31(18)40/h7-11,13,15-18,26H,4-6,12,14H2,1-3H3,(H,36,41)(H,37,40)/t18-,26+/m1/s1
InChIKeyNVKNABMCMNHCSO-DWXRJYCRSA-N
XLogP6.84
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.08
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The IUPAC name of methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate (CID 73052833) is methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate.
What is the SMILES notation for methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The canonical SMILES for methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate is COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(OC)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1.
What is the InChIKey of methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The InChIKey is NVKNABMCMNHCSO-DWXRJYCRSA-N. The full InChI is InChI=1S/C32H32ClFN4O5/c1-18-5-4-6-26(38-14-12-20(16-28(38)39)29-27(42-2)10-9-23(33)30(29)34)25-15-19(11-13-35-25)22-8-7-21(36-32(41)43-3)17-24(22)37-31(18)40/h7-11,13,15-18,26H,4-6,12,14H2,1-3H3,(H,36,41)(H,37,40)/t18-,26+/m1/s1.
What are the key properties of methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate has a molecular weight of 607.08 g/mol, XLogP of 6.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(10R,14S)-14-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate is sourced from PubChem (CID 73052833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).