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

C25H30N8O2 — CID 175965878

IUPAC4-(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
SMILESCc1c2c(nn1C1CNCC1O)OCCN(C)Cc1c(cnn1C)-c1ccc3n[nH]c(c3c1)C=C2
InChIInChI=1S/C25H30N8O2/c1-15-17-5-7-21-18-10-16(4-6-20(18)28-29-21)19-11-27-32(3)23(19)14-31(2)8-9-35-25(17)30-33(15)22-12-26-13-24(22)34/h4-7,10-11,22,24,26,34H,8-9,12-14H2,1-3H3,(H,28,29)
InChIKeyLLGLGPZSZJNRTH-UHFFFAOYSA-N
MW474.57 g/mol
LogP1.97
Rot. Bonds1

About 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

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 (PubChem CID 175965878) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID175965878
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name4-(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
SMILESCc1c2c(nn1C1CNCC1O)OCCN(C)Cc1c(cnn1C)-c1ccc3n[nH]c(c3c1)C=C2
InChIInChI=1S/C25H30N8O2/c1-15-17-5-7-21-18-10-16(4-6-20(18)28-29-21)19-11-27-32(3)23(19)14-31(2)8-9-35-25(17)30-33(15)22-12-26-13-24(22)34/h4-7,10-11,22,24,26,34H,8-9,12-14H2,1-3H3,(H,28,29)
InChIKeyLLGLGPZSZJNRTH-UHFFFAOYSA-N
XLogP1.97
TPSA109.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 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

US20250353864, Example 116
CID 170447274
US20250353864, Example 195
CID 170447766
US20250353864, Example 214
CID 170447919
US20250353864, Example 215
CID 170447920
US20250353864, Example 216
CID 170447921
US20250353864, Example 226
CID 170447994
US20250353864, Example 275
CID 170448442
US20250353864, Example 277
CID 170448514
US20250353864, Example 172
CID 170617618
US20250353864, Example 178
CID 170617663
US20250353864, Example 228
CID 170617688
US20250353864, Example 229
CID 170617763

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c2c(nn1C1CNCC1O)OCCN(C)Cc1c(cnn1C)-c1ccc3n[nH]c(c3c1)C=C2.
What is the InChIKey of 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?
The InChIKey is LLGLGPZSZJNRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-15-17-5-7-21-18-10-16(4-6-20(18)28-29-21)19-11-27-32(3)23(19)14-31(2)8-9-35-25(17)30-33(15)22-12-26-13-24(22)34/h4-7,10-11,22,24,26,34H,8-9,12-14H2,1-3H3,(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 474.57 g/mol, XLogP of 1.97, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175965878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).