1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine

C38H26N10 — CID 139060230

IUPAC1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine
SMILESc1cc(-n2ccc3cccnc32)nc(-n2ccc3cccnc32)c1.c1cc(-n2ccc3cccnc32)nc(-n2ccc3cccnc32)c1
InChIInChI=1S/2C19H13N5/c2*1-6-16(23-12-8-14-4-2-10-20-18(14)23)22-17(7-1)24-13-9-15-5-3-11-21-19(15)24/h2*1-13H
InChIKeyGCTYUYIGSDBLGQ-UHFFFAOYSA-N
MW622.70 g/mol
LogP7.52
Rot. Bonds4

About 1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine

1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine (PubChem CID 139060230) has the molecular formula C38H26N10 and a molecular weight of 622.70 g/mol. Its IUPAC name is 1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine
PubChem CID139060230
Molecular FormulaC38H26N10
Molecular Weight622.70 g/mol
Exact Mass622.23
IUPAC Name1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine
SMILESc1cc(-n2ccc3cccnc32)nc(-n2ccc3cccnc32)c1.c1cc(-n2ccc3cccnc32)nc(-n2ccc3cccnc32)c1
InChIInChI=1S/2C19H13N5/c2*1-6-16(23-12-8-14-4-2-10-20-18(14)23)22-17(7-1)24-13-9-15-5-3-11-21-19(15)24/h2*1-13H
InChIKeyGCTYUYIGSDBLGQ-UHFFFAOYSA-N
XLogP7.52
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.70
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(5-Cyclopropylpyrimidin-2-yl)-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine
CID 172459967
Dizinc;bis(1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine);tetrakis(trifluoromethanesulfonate)
CID 139137629
Copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 3649007
1,1',1''-(1,3,5-Benzenetriyl)tris[1H-pyrrolo[2,3-b]pyridine]
CID 53433505
1-(2-Pyridin-2-yl)-1h-pyrrolo[2,3-b]pyridine
CID 53986699
Pyridyl phthalocyanine
CID 129858999
Copper(II) 4,4',4'',4'''-tetraaza-29H,31H-phthalocyanine
CID 16211980
8-[2-[6-(Fluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
CID 118401257
10-[2-[6-(Fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
CID 118401275
1-[2-[3-(4,4-Difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine
CID 152668848
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine
CID 155373918
1-[3-(5-Fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)butyl]-3-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine
CID 156186242

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine (CID 139060230) is 1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine is c1cc(-n2ccc3cccnc32)nc(-n2ccc3cccnc32)c1.c1cc(-n2ccc3cccnc32)nc(-n2ccc3cccnc32)c1.
What is the InChIKey of 1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine?
The InChIKey is GCTYUYIGSDBLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H13N5/c2*1-6-16(23-12-8-14-4-2-10-20-18(14)23)22-17(7-1)24-13-9-15-5-3-11-21-19(15)24/h2*1-13H.
What are the key properties of 1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine?
1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine has a molecular weight of 622.70 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139060230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).