(13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione

C29H22ClFN6O2 — CID 175830244

IUPAC(13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione
SMILESO=C1C=C(F)C2=C(Cl)/C=N\CC3=C(C2=C1)C(c1ncc(-c2ccn4ccnc4c2)[nH]1)CN1C(=O)CC2(CC2)[C@H]31
InChIInChI=1S/C29H22ClFN6O2/c30-20-12-32-11-18-25(17-8-16(38)9-21(31)26(17)20)19(14-37-24(39)10-29(2-3-29)27(18)37)28-34-13-22(35-28)15-1-5-36-6-4-33-23(36)7-15/h1,4-9,12-13,19,27H,2-3,10-11,14H2,(H,34,35)/b26-20?,32-12-/t19?,27-/m0/s1
InChIKeyIRFVVVAXGJXLJD-MIVIJUPVSA-N
MW540.99 g/mol
LogP4.44
Rot. Bonds2

About (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione

(13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione (PubChem CID 175830244) has the molecular formula C29H22ClFN6O2 and a molecular weight of 540.99 g/mol. Its IUPAC name is (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione.

Molecular Properties

Compound Name(13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione
PubChem CID175830244
Molecular FormulaC29H22ClFN6O2
Molecular Weight540.99 g/mol
Exact Mass540.15
IUPAC Name(13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione
SMILESO=C1C=C(F)C2=C(Cl)/C=N\CC3=C(C2=C1)C(c1ncc(-c2ccn4ccnc4c2)[nH]1)CN1C(=O)CC2(CC2)[C@H]31
InChIInChI=1S/C29H22ClFN6O2/c30-20-12-32-11-18-25(17-8-16(38)9-21(31)26(17)20)19(14-37-24(39)10-29(2-3-29)27(18)37)28-34-13-22(35-28)15-1-5-36-6-4-33-23(36)7-15/h1,4-9,12-13,19,27H,2-3,10-11,14H2,(H,34,35)/b26-20?,32-12-/t19?,27-/m0/s1
InChIKeyIRFVVVAXGJXLJD-MIVIJUPVSA-N
XLogP4.44
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.99
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione with MolForge

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Related Compounds

[2-(6-amino-2-chloro-3-pyridinyl)-2-oxoethyl] 8-chloro-6-fluoro-4,16-dioxospiro[10,17-diazatetracyclo[10.7.0.02,7.013,17]nonadeca-1(12),2,5,7,9-pentaene-14,1'-cyclopropane]-19-carboxylate
CID 172842645
(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
7-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyridine
CID 121014694
(4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31043406
(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31073934
N-[3-(2-chloro-5-fluorophenyl)-6-imidazo[1,2-a]pyridin-7-yl-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166821779
2-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-6-[5-chloro-2-(difluoromethyl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066967
4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one
CID 91420628
7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525525
2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
CID 59669089
(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
(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

Frequently Asked Questions

What is the IUPAC name of (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione?
The IUPAC name of (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione (CID 175830244) is (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione.
What is the SMILES notation for (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione?
The canonical SMILES for (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione is O=C1C=C(F)C2=C(Cl)/C=N\CC3=C(C2=C1)C(c1ncc(-c2ccn4ccnc4c2)[nH]1)CN1C(=O)CC2(CC2)[C@H]31.
What is the InChIKey of (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione?
The InChIKey is IRFVVVAXGJXLJD-MIVIJUPVSA-N. The full InChI is InChI=1S/C29H22ClFN6O2/c30-20-12-32-11-18-25(17-8-16(38)9-21(31)26(17)20)19(14-37-24(39)10-29(2-3-29)27(18)37)28-34-13-22(35-28)15-1-5-36-6-4-33-23(36)7-15/h1,4-9,12-13,19,27H,2-3,10-11,14H2,(H,34,35)/b26-20?,32-12-/t19?,27-/m0/s1.
What are the key properties of (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione?
(13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione has a molecular weight of 540.99 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-8-chloro-6-fluoro-19-(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(12),2,5,7,9-pentaene-14,1'-cyclopropane]-4,16-dione is sourced from PubChem (CID 175830244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).