3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole

C22H14N4 — CID 130353330

IUPAC3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole
SMILESc1ccc2c(c1)[nH]c1cc(-c3ccc4c(c3)[nH]c3ncccc34)ncc12
InChIInChI=1S/C22H14N4/c1-2-6-18-14(4-1)17-12-24-19(11-21(17)25-18)13-7-8-15-16-5-3-9-23-22(16)26-20(15)10-13/h1-12,25H,(H,23,26)
InChIKeyNOSWTDXZULJWRX-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.41
Rot. Bonds1

About 3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole

3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole (PubChem CID 130353330) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole
PubChem CID130353330
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole
SMILESc1ccc2c(c1)[nH]c1cc(-c3ccc4c(c3)[nH]c3ncccc34)ncc12
InChIInChI=1S/C22H14N4/c1-2-6-18-14(4-1)17-12-24-19(11-21(17)25-18)13-7-8-15-16-5-3-9-23-22(16)26-20(15)10-13/h1-12,25H,(H,23,26)
InChIKeyNOSWTDXZULJWRX-UHFFFAOYSA-N
XLogP5.41
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Ngd-8243
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CID 10297043
PP121
CID 24905142
Pazelliptine
CID 68853
Apto-253
CID 11960271
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Akn-028
CID 44177328
Sch-79797
CID 4259181
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
BN-81,644
CID 9802572
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757

Frequently Asked Questions

What is the IUPAC name of 3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole?
The IUPAC name of 3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole (CID 130353330) is 3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole is c1ccc2c(c1)[nH]c1cc(-c3ccc4c(c3)[nH]c3ncccc34)ncc12.
What is the InChIKey of 3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole?
The InChIKey is NOSWTDXZULJWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4/c1-2-6-18-14(4-1)17-12-24-19(11-21(17)25-18)13-7-8-15-16-5-3-9-23-22(16)26-20(15)10-13/h1-12,25H,(H,23,26).
What are the key properties of 3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole?
3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole has a molecular weight of 334.38 g/mol, XLogP of 5.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 130353330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).