23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene

C31H17N3O2 — CID 144803539

IUPAC23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
SMILESc1ccc2c(c1)nn1cccc(-n3c4cc5c(cc4c4c6ccccc6oc43)oc3ccccc35)c21
InChIInChI=1S/C31H17N3O2/c1-4-11-23-19(9-1)30-24(12-7-15-33(30)32-23)34-25-16-21-18-8-2-5-13-26(18)35-28(21)17-22(25)29-20-10-3-6-14-27(20)36-31(29)34/h1-17H
InChIKeyHQGJCUWJHCLUFY-UHFFFAOYSA-N
MW463.50 g/mol
LogP8.23
Rot. Bonds1

About 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene

23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene (PubChem CID 144803539) has the molecular formula C31H17N3O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene.

Molecular Properties

Compound Name23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
PubChem CID144803539
Molecular FormulaC31H17N3O2
Molecular Weight463.50 g/mol
Exact Mass463.13
IUPAC Name23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
SMILESc1ccc2c(c1)nn1cccc(-n3c4cc5c(cc4c4c6ccccc6oc43)oc3ccccc35)c21
InChIInChI=1S/C31H17N3O2/c1-4-11-23-19(9-1)30-24(12-7-15-33(30)32-23)34-25-16-21-18-8-2-5-13-26(18)35-28(21)17-22(25)29-20-10-3-6-14-27(20)36-31(29)34/h1-17H
InChIKeyHQGJCUWJHCLUFY-UHFFFAOYSA-N
XLogP8.23
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene with MolForge

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Related Compounds

23-[3-(21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaen-22-yl)phenyl]-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
CID 121474779
12-(1,3-benzoxazol-2-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502783
2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453165
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole
CID 118488526
24-(2-fluoroquinazolin-4-yl)-20,28-dioxa-1,24-diazadecacyclo[21.14.1.02,11.04,9.012,38.013,21.014,19.025,37.027,35.029,34]octatriaconta-2,4,6,8,10,12(38),13(21),14,16,18,22,25(37),26,29,31,33,35-heptadecaene
CID 163980925
9-([1]benzofuro[2,3-b]indol-6-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 144751633
11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-b]carbazole
CID 165165805
23-[3-(21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaen-22-yl)phenyl]-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
CID 121474759
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146227093

Frequently Asked Questions

What is the IUPAC name of 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
The IUPAC name of 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene (CID 144803539) is 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene.
What is the SMILES notation for 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
The canonical SMILES for 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene is c1ccc2c(c1)nn1cccc(-n3c4cc5c(cc4c4c6ccccc6oc43)oc3ccccc35)c21.
What is the InChIKey of 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
The InChIKey is HQGJCUWJHCLUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17N3O2/c1-4-11-23-19(9-1)30-24(12-7-15-33(30)32-23)34-25-16-21-18-8-2-5-13-26(18)35-28(21)17-22(25)29-20-10-3-6-14-27(20)36-31(29)34/h1-17H.
What are the key properties of 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene has a molecular weight of 463.50 g/mol, XLogP of 8.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-pyrido[1,2-b]indazol-10-yl-10,21-dioxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene is sourced from PubChem (CID 144803539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).