3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C15H12N4 — CID 12037446

IUPAC3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(Cc3c[nH]c4ncccc34)c2c1
InChIInChI=1S/C15H12N4/c1-3-12-10(8-18-14(12)16-5-1)7-11-9-19-15-13(11)4-2-6-17-15/h1-6,8-9H,7H2,(H,16,18)(H,17,19)
InChIKeyVJFBBBNMUHWQPP-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.03
Rot. Bonds2

About 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 12037446) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID12037446
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(Cc3c[nH]c4ncccc34)c2c1
InChIInChI=1S/C15H12N4/c1-3-12-10(8-18-14(12)16-5-1)7-11-9-19-15-13(11)4-2-6-17-15/h1-6,8-9H,7H2,(H,16,18)(H,17,19)
InChIKeyVJFBBBNMUHWQPP-UHFFFAOYSA-N
XLogP3.03
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91928260
3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 86671429
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 59362788
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 59593338
3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 71096537
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine
CID 59362853
N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096
1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone
CID 58065947
2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile
CID 174302210

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 12037446) is 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]cc(Cc3c[nH]c4ncccc34)c2c1.
What is the InChIKey of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VJFBBBNMUHWQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-3-12-10(8-18-14(12)16-5-1)7-11-9-19-15-13(11)4-2-6-17-15/h1-6,8-9H,7H2,(H,16,18)(H,17,19).
What are the key properties of 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 248.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 12037446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).