(17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene

C26H31N7O2 — CID 170618095

IUPAC(17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene
SMILESCc1[nH]nc2c1/C=C\c1nn(C3CCCCO3)c3ccc(cc13)-c1cnn(C)c1CN(C)CCO2
InChIInChI=1S/C26H31N7O2/c1-17-19-8-9-22-20-14-18(7-10-23(20)33(30-22)25-6-4-5-12-34-25)21-15-27-32(3)24(21)16-31(2)11-13-35-26(19)29-28-17/h7-10,14-15,25H,4-6,11-13,16H2,1-3H3,(H,28,29)/b9-8-
InChIKeyNBALFABLPLCZEF-HJWRWDBZSA-N
MW473.58 g/mol
LogP4.16
Rot. Bonds1

About (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene

(17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene (PubChem CID 170618095) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene.

Molecular Properties

Compound Name(17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene
PubChem CID170618095
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name(17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene
SMILESCc1[nH]nc2c1/C=C\c1nn(C3CCCCO3)c3ccc(cc13)-c1cnn(C)c1CN(C)CCO2
InChIInChI=1S/C26H31N7O2/c1-17-19-8-9-22-20-14-18(7-10-23(20)33(30-22)25-6-4-5-12-34-25)21-15-27-32(3)24(21)16-31(2)11-13-35-26(19)29-28-17/h7-10,14-15,25H,4-6,11-13,16H2,1-3H3,(H,28,29)/b9-8-
InChIKeyNBALFABLPLCZEF-HJWRWDBZSA-N
XLogP4.16
TPSA86.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene with MolForge

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Related Compounds

(17E)-5,15-dimethyl-21-(oxan-2-yl)-7,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene
CID 170449784
(8S,17E)-5,8,13-trimethyl-21-(oxan-2-yl)-7,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-15-carboxylic acid
CID 170618233
(17E)-5,10,15-trimethyl-21-(oxan-2-yl)-13-(2-pyrrolidin-1-ylethyl)-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaen-11-one
CID 170444938
[(17E)-5,8,15-trimethyl-13-(1-methylpyrrolidin-3-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaen-21-yl]methanol
CID 170617814
4-(5,8,15-trimethyl-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19(26),21,23-nonaen-14-yl)pyrrolidin-3-ol
CID 175965878
(8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide
CID 174156348
(3S)-1-[2-[4-[3-ethynyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]oxyethyl]-3-hydroxypyrrolidin-2-one
CID 170434622
1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine
CID 170432337
3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane
CID 166146302
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
3-[4-[3-ethynyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]oxybutyl methanesulfonate
CID 170434649
methyl 5-methyl-22-(oxan-2-yl)-7,11-dioxa-4,5,21,22,25-pentazapentacyclo[18.5.2.02,6.012,17.023,27]heptacosa-1(25),2(6),3,12(17),13,15,18,20,23,26-decaene-14-carboxylate
CID 174014062

Frequently Asked Questions

What is the IUPAC name of (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene?
The IUPAC name of (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene (CID 170618095) is (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene.
What is the SMILES notation for (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene?
The canonical SMILES for (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene is Cc1[nH]nc2c1/C=C\c1nn(C3CCCCO3)c3ccc(cc13)-c1cnn(C)c1CN(C)CCO2.
What is the InChIKey of (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene?
The InChIKey is NBALFABLPLCZEF-HJWRWDBZSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-17-19-8-9-22-20-14-18(7-10-23(20)33(30-22)25-6-4-5-12-34-25)21-15-27-32(3)24(21)16-31(2)11-13-35-26(19)29-28-17/h7-10,14-15,25H,4-6,11-13,16H2,1-3H3,(H,28,29)/b9-8-.
What are the key properties of (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene?
(17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene has a molecular weight of 473.58 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (17Z)-5,8,15-trimethyl-21-(oxan-2-yl)-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene is sourced from PubChem (CID 170618095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).