(16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione

C30H23ClFN5O2S — CID 167209397

IUPAC(16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione
SMILESCc1nc2cc(-c3cnc([C@H]4CCc5c6c(cc(=O)n54)-c4c(ccc(Cl)c4F)CC4(CC4)NC6=O)[nH]3)ccc2s1
InChIInChI=1S/C30H23ClFN5O2S/c1-14-34-19-10-15(3-7-23(19)40-14)20-13-33-28(35-20)22-6-5-21-26-17(11-24(38)37(21)22)25-16(2-4-18(31)27(25)32)12-30(8-9-30)36-29(26)39/h2-4,7,10-11,13,22H,5-6,8-9,12H2,1H3,(H,33,35)(H,36,39)/t22-/m1/s1
InChIKeyADRLPGIHYBZLRL-JOCHJYFZSA-N
MW572.07 g/mol
LogP5.97
Rot. Bonds2

About (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione

(16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione (PubChem CID 167209397) has the molecular formula C30H23ClFN5O2S and a molecular weight of 572.07 g/mol. Its IUPAC name is (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione.

Molecular Properties

Compound Name(16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione
PubChem CID167209397
Molecular FormulaC30H23ClFN5O2S
Molecular Weight572.07 g/mol
Exact Mass571.12
IUPAC Name(16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione
SMILESCc1nc2cc(-c3cnc([C@H]4CCc5c6c(cc(=O)n54)-c4c(ccc(Cl)c4F)CC4(CC4)NC6=O)[nH]3)ccc2s1
InChIInChI=1S/C30H23ClFN5O2S/c1-14-34-19-10-15(3-7-23(19)40-14)20-13-33-28(35-20)22-6-5-21-26-17(11-24(38)37(21)22)25-16(2-4-18(31)27(25)32)12-30(8-9-30)36-29(26)39/h2-4,7,10-11,13,22H,5-6,8-9,12H2,1H3,(H,33,35)(H,36,39)/t22-/m1/s1
InChIKeyADRLPGIHYBZLRL-JOCHJYFZSA-N
XLogP5.97
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.07
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(16R)-16-[5-(1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]-4-chloro-3-fluorospiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione
CID 167209401
(16S)-4-chloro-3-fluoro-16-(5-imidazo[1,2-a]pyridin-7-yl-1H-imidazol-2-yl)spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione
CID 167209352
(16R)-16-[5-(1,2,3-benzothiadiazol-5-yl)-1H-imidazol-2-yl]-4-chloro-3-fluorospiro[17-azatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione
CID 167544003
(16R)-4-chloro-3-fluoro-16-[5-(1H-indol-5-yl)-1H-imidazol-2-yl]spiro[17-azatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione
CID 167603969
methyl N-[4-[2-[(1S)-1-(15-chloro-16-fluoro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-2-cyclopropylethyl]-1H-imidazol-5-yl]phenyl]carbamate;sulfane
CID 167661292
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
4-[2-[(6S)-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-N-methylthiophene-2-carboxamide
CID 134314676
(3S)-7-(6-amino-3-chloro-2-fluorophenyl)-3-[5-(5-chloro-2-fluoro-4-pyridinyl)-1H-imidazol-2-yl]-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 162684137
methyl N-[14-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]carbamate
CID 123513516
5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole
CID 155916267
methyl N-[(14S)-14-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]carbamate
CID 118153114
methyl N-[14-[4-(3,6-dichloro-2-fluorophenyl)-2-oxo-1,3-diazinan-1-yl]-10-methyl-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]carbamate
CID 78055911

Frequently Asked Questions

What is the IUPAC name of (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione?
The IUPAC name of (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione (CID 167209397) is (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione.
What is the SMILES notation for (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione?
The canonical SMILES for (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione is Cc1nc2cc(-c3cnc([C@H]4CCc5c6c(cc(=O)n54)-c4c(ccc(Cl)c4F)CC4(CC4)NC6=O)[nH]3)ccc2s1.
What is the InChIKey of (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione?
The InChIKey is ADRLPGIHYBZLRL-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H23ClFN5O2S/c1-14-34-19-10-15(3-7-23(19)40-14)20-13-33-28(35-20)22-6-5-21-26-17(11-24(38)37(21)22)25-16(2-4-18(31)27(25)32)12-30(8-9-30)36-29(26)39/h2-4,7,10-11,13,22H,5-6,8-9,12H2,1H3,(H,33,35)(H,36,39)/t22-/m1/s1.
What are the key properties of (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione?
(16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione has a molecular weight of 572.07 g/mol, XLogP of 5.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-4-chloro-3-fluoro-16-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-imidazol-2-yl]spiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(19),2(7),3,5,12-pentaene-9,1'-cyclopropane]-11,18-dione is sourced from PubChem (CID 167209397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).