25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one

C25H31N7O4 — CID 135903147

IUPAC25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one
SMILESCN1CCNc2ncnc3[nH]c(O)c(c23)/C=N\c2ccc(N3CCOCC3)c(c2)OCCCCC1=O
InChIInChI=1S/C25H31N7O4/c1-31-8-7-26-23-22-18(25(34)30-24(22)29-16-28-23)15-27-17-5-6-19(32-9-12-35-13-10-32)20(14-17)36-11-3-2-4-21(31)33/h5-6,14-16,34H,2-4,7-13H2,1H3,(H2,26,28,29,30)/b27-15-
InChIKeyKYRGLZJVKQGEAR-DICXZTSXSA-N
MW493.57 g/mol
LogP2.68
Rot. Bonds1

About 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one

25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one (PubChem CID 135903147) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one.

Molecular Properties

Compound Name25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one
PubChem CID135903147
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC Name25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one
SMILESCN1CCNc2ncnc3[nH]c(O)c(c23)/C=N\c2ccc(N3CCOCC3)c(c2)OCCCCC1=O
InChIInChI=1S/C25H31N7O4/c1-31-8-7-26-23-22-18(25(34)30-24(22)29-16-28-23)15-27-17-5-6-19(32-9-12-35-13-10-32)20(14-17)36-11-3-2-4-21(31)33/h5-6,14-16,34H,2-4,7-13H2,1H3,(H2,26,28,29,30)/b27-15-
InChIKeyKYRGLZJVKQGEAR-DICXZTSXSA-N
XLogP2.68
TPSA128.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one with MolForge

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Related Compounds

25-hydroxy-6,7-dimethoxy-14-methyl-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;26-hydroxy-6,7-dimethoxy-15-methyl-9-oxa-3,15,19,21,23,25-hexazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one;25-hydroxy-14-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,14,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-13-one;25-hydroxy-15-methyl-7-(4-methylpiperazin-1-yl)-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one
CID 158141837
26-hydroxy-9,15-dimethyl-7-(4-methylpiperazin-1-yl)-3,9,15,19,21,23,25-heptazatetracyclo[18.6.1.14,8.024,27]octacosa-1(26),2,4(28),5,7,20,22,24(27)-octaen-14-one
CID 135903148
10,15-dimethyl-7-(4-methylpiperazin-1-yl)-3,10,15,19,21,23,25-heptazatetracyclo[18.6.1.14,8.024,27]octacosa-2,4(28),5,7,20(27),21,23-heptaene-14,26-dione
CID 123354662
10,15-dimethyl-3,10,15,18,20,22,24-heptazatetracyclo[17.6.1.14,8.023,26]heptacosa-2,4,6,8(27),19(26),20,22-heptaene-14,25-dione
CID 123914852
7-methoxy-10,18-dimethyl-3,10,18,22,24,26,28-heptazatetracyclo[21.6.1.14,8.027,30]hentriaconta-2,4(31),5,7,23(30),24,26-heptaene-17,29-dione
CID 123431044
1-methyl-1-(7-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)hydrazine
CID 146460551
2-methyl-4-morpholin-4-yl-6-(1,6,7,8-tetrahydropyrano[2,3-f]indazol-3-yl)pyridazin-3-one
CID 169236294
4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine
CID 59447962
17-oxa-1,5,7,9,11,23-hexazapentacyclo[21.2.2.13,6.112,16.010,29]nonacosa-3,6(29),7,9,12(28),13,15-heptaen-22-one
CID 59442367
7-methoxy-10,17,21-trimethyl-3,10,17,21,23,25,27-heptazatetracyclo[20.6.1.14,8.026,29]triaconta-2,4(30),5,7,22,24,26(29)-heptaene-16,28-dione
CID 123179770
1-methylpyrrolidin-2-one;oxetane
CID 170438379
6-amino-5-(1,4-oxazepan-4-yl)-3H-1,3-benzoxazol-2-one
CID 115425570

Frequently Asked Questions

What is the IUPAC name of 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one?
The IUPAC name of 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one (CID 135903147) is 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one.
What is the SMILES notation for 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one?
The canonical SMILES for 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one is CN1CCNc2ncnc3[nH]c(O)c(c23)/C=N\c2ccc(N3CCOCC3)c(c2)OCCCCC1=O.
What is the InChIKey of 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one?
The InChIKey is KYRGLZJVKQGEAR-DICXZTSXSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-31-8-7-26-23-22-18(25(34)30-24(22)29-16-28-23)15-27-17-5-6-19(32-9-12-35-13-10-32)20(14-17)36-11-3-2-4-21(31)33/h5-6,14-16,34H,2-4,7-13H2,1H3,(H2,26,28,29,30)/b27-15-.
What are the key properties of 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one?
25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one has a molecular weight of 493.57 g/mol, XLogP of 2.68, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 25-hydroxy-15-methyl-7-morpholin-4-yl-9-oxa-3,15,18,20,22,24-hexazatetracyclo[17.6.1.14,8.023,26]heptacosa-1(25),2,4(27),5,7,19,21,23(26)-octaen-14-one is sourced from PubChem (CID 135903147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).