CID 59558620

C25H25N5O2 — CID 59558620

IUPAC—
SMILESCOc1ccc(-c2ncc3c(n2)-c2[nH]c4c(c2CC3)C(=O)NC2(CC2)C42CN(C)C2)cc1
InChIInChI=1S/C25H25N5O2/c1-30-12-24(13-30)21-18(23(31)29-25(24)9-10-25)17-8-5-15-11-26-22(28-19(15)20(17)27-21)14-3-6-16(32-2)7-4-14/h3-4,6-7,11,27H,5,8-10,12-13H2,1-2H3,(H,29,31)
InChIKeyLYCODYNGSYJTNK-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.71
Rot. Bonds2

About CID 59558620

CID 59558620 (PubChem CID 59558620) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol.

Molecular Properties

Compound NameCID 59558620
PubChem CID59558620
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name—
SMILESCOc1ccc(-c2ncc3c(n2)-c2[nH]c4c(c2CC3)C(=O)NC2(CC2)C42CN(C)C2)cc1
InChIInChI=1S/C25H25N5O2/c1-30-12-24(13-30)21-18(23(31)29-25(24)9-10-25)17-8-5-15-11-26-22(28-19(15)20(17)27-21)14-3-6-16(32-2)7-4-14/h3-4,6-7,11,27H,5,8-10,12-13H2,1-2H3,(H,29,31)
InChIKeyLYCODYNGSYJTNK-UHFFFAOYSA-N
XLogP2.71
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 161180467
CID 161180467
4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
CID 143745777
1'-methyl-4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 56666416
4-(4-methoxyphenyl)-1'-methylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
CID 56683316
8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
CID 66682665
2-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-8-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid
CID 66682664
tert-butyl 4-(3-methoxyphenyl)-17-methyl-12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-1'-carboxylate;tert-butyl 4-(3-methoxyphenyl)-12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-1'-carboxylate
CID 160551578
1'-methyl-4-(4-propylphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 166461534
5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid
CID 59558510
4-[4-(3-amino-3-methylbutyl)phenyl]spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one;4-[4-(3-amino-3-methylbut-1-ynyl)phenyl]spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one
CID 159479984
tert-butyl 4-(4-bromophenyl)-12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-13-carboxylate
CID 59558483
2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one
CID 83891684

Frequently Asked Questions

What is the IUPAC name of CID 59558620?
The IUPAC name of CID 59558620 (CID 59558620) is not available.
What is the SMILES notation for CID 59558620?
The canonical SMILES for CID 59558620 is COc1ccc(-c2ncc3c(n2)-c2[nH]c4c(c2CC3)C(=O)NC2(CC2)C42CN(C)C2)cc1.
What is the InChIKey of CID 59558620?
The InChIKey is LYCODYNGSYJTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-30-12-24(13-30)21-18(23(31)29-25(24)9-10-25)17-8-5-15-11-26-22(28-19(15)20(17)27-21)14-3-6-16(32-2)7-4-14/h3-4,6-7,11,27H,5,8-10,12-13H2,1-2H3,(H,29,31).
What are the key properties of CID 59558620?
CID 59558620 has a molecular weight of 427.51 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59558620 is sourced from PubChem (CID 59558620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).