15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene

C25H18N8O — CID 153295769

IUPAC15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene
SMILESc1cc2cc(c1)-c1nccc3[nH]c(nc13)-c1n[nH]c3ccc(cc13)-c1cncc(n1)NCCO2
InChIInChI=1S/C25H18N8O/c1-2-15-10-16(3-1)34-9-8-27-21-13-26-12-20(29-21)14-4-5-18-17(11-14)23(33-32-18)25-30-19-6-7-28-22(15)24(19)31-25/h1-7,10-13H,8-9H2,(H,27,29)(H,30,31)(H,32,33)
InChIKeySUQPBONYYZOHHX-UHFFFAOYSA-N
MW446.47 g/mol
LogP4.43
Rot. Bonds

About 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene

15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene (PubChem CID 153295769) has the molecular formula C25H18N8O and a molecular weight of 446.47 g/mol. Its IUPAC name is 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene.

Molecular Properties

Compound Name15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene
PubChem CID153295769
Molecular FormulaC25H18N8O
Molecular Weight446.47 g/mol
Exact Mass446.16
IUPAC Name15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene
SMILESc1cc2cc(c1)-c1nccc3[nH]c(nc13)-c1n[nH]c3ccc(cc13)-c1cncc(n1)NCCO2
InChIInChI=1S/C25H18N8O/c1-2-15-10-16(3-1)34-9-8-27-21-13-26-12-20(29-21)14-4-5-18-17(11-14)23(33-32-18)25-30-19-6-7-28-22(15)24(19)31-25/h1-7,10-13H,8-9H2,(H,27,29)(H,30,31)(H,32,33)
InChIKeySUQPBONYYZOHHX-UHFFFAOYSA-N
XLogP4.43
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene with MolForge

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Related Compounds

4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 137019318
1-[6-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136936799
4-(2-fluorophenyl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136936788
4-(2-fluorophenyl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 137019406
4-pyridin-4-yl-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936809
4-(3-fluoro-5-methylphenyl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136937206
N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137019311
4-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 137019261
4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136935471
4-(5-methylthiophen-2-yl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136936980
3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137308947
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Frequently Asked Questions

What is the IUPAC name of 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene?
The IUPAC name of 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene (CID 153295769) is 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene.
What is the SMILES notation for 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene?
The canonical SMILES for 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene is c1cc2cc(c1)-c1nccc3[nH]c(nc13)-c1n[nH]c3ccc(cc13)-c1cncc(n1)NCCO2.
What is the InChIKey of 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene?
The InChIKey is SUQPBONYYZOHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N8O/c1-2-15-10-16(3-1)34-9-8-27-21-13-26-12-20(29-21)14-4-5-18-17(11-14)23(33-32-18)25-30-19-6-7-28-22(15)24(19)31-25/h1-7,10-13H,8-9H2,(H,27,29)(H,30,31)(H,32,33).
What are the key properties of 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene?
15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene has a molecular weight of 446.47 g/mol, XLogP of 4.43, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxa-3,8,18,21,28,29,32,34-octazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19(32),20,22,24(31),25,27(30)-tetradecaene is sourced from PubChem (CID 153295769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).