11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene

C27H17N5 — CID 134169344

IUPAC11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene
SMILESc1cc(-c2ccncc2)nc(-n2c3ccc4ccccc4c3n3c4ccccc4nc23)c1
InChIInChI=1S/C27H17N5/c1-2-7-20-18(6-1)12-13-24-26(20)32-23-10-4-3-8-22(23)30-27(32)31(24)25-11-5-9-21(29-25)19-14-16-28-17-15-19/h1-17H
InChIKeyBAYPBDZEGCUGOE-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.04
Rot. Bonds2

About 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene

11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene (PubChem CID 134169344) has the molecular formula C27H17N5 and a molecular weight of 411.47 g/mol. Its IUPAC name is 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene.

Molecular Properties

Compound Name11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene
PubChem CID134169344
Molecular FormulaC27H17N5
Molecular Weight411.47 g/mol
Exact Mass411.15
IUPAC Name11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene
SMILESc1cc(-c2ccncc2)nc(-n2c3ccc4ccccc4c3n3c4ccccc4nc23)c1
InChIInChI=1S/C27H17N5/c1-2-7-20-18(6-1)12-13-24-26(20)32-23-10-4-3-8-22(23)30-27(32)31(24)25-11-5-9-21(29-25)19-14-16-28-17-15-19/h1-17H
InChIKeyBAYPBDZEGCUGOE-UHFFFAOYSA-N
XLogP6.04
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene with MolForge

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Related Compounds

5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole
CID 170420670
5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 140932542
11-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene
CID 134169373
19-naphthalen-2-yl-3-(6-pyridin-4-yl-2-pyridinyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 87414584
27-(6-phenyl-2-pyridinyl)-3,10,27-triazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene
CID 90432087
2,9-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),3,5,7,9,11,14,16,18,20-decaene
CID 11054668
9-[6-[6-[6-(4-naphthalen-1-ylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480322
9-[6-[6-(6-phenanthren-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480401
9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480347
5-pyridin-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
CID 164671964
5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497

Frequently Asked Questions

What is the IUPAC name of 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene?
The IUPAC name of 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene (CID 134169344) is 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene.
What is the SMILES notation for 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene?
The canonical SMILES for 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene is c1cc(-c2ccncc2)nc(-n2c3ccc4ccccc4c3n3c4ccccc4nc23)c1.
What is the InChIKey of 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene?
The InChIKey is BAYPBDZEGCUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N5/c1-2-7-20-18(6-1)12-13-24-26(20)32-23-10-4-3-8-22(23)30-27(32)31(24)25-11-5-9-21(29-25)19-14-16-28-17-15-19/h1-17H.
What are the key properties of 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene?
11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene has a molecular weight of 411.47 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(6-pyridin-4-yl-2-pyridinyl)-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene is sourced from PubChem (CID 134169344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).