3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

C21H15ClN4 — CID 170418991

IUPAC3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(C(c2c[nH]c3ncccc23)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C21H15ClN4/c22-14-7-5-13(6-8-14)19(17-11-25-20-15(17)3-1-9-23-20)18-12-26-21-16(18)4-2-10-24-21/h1-12,19H,(H,23,25)(H,24,26)
InChIKeyLLPNXLXMUJTGMW-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.27
Rot. Bonds3

About 3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170418991) has the molecular formula C21H15ClN4 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID170418991
Molecular FormulaC21H15ClN4
Molecular Weight358.83 g/mol
Exact Mass358.10
IUPAC Name3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(C(c2c[nH]c3ncccc23)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C21H15ClN4/c22-14-7-5-13(6-8-14)19(17-11-25-20-15(17)3-1-9-23-20)18-12-26-21-16(18)4-2-10-24-21/h1-12,19H,(H,23,25)(H,24,26)
InChIKeyLLPNXLXMUJTGMW-UHFFFAOYSA-N
XLogP5.27
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 58087153
3-[1-(2,6-dichloro-3-fluorophenyl)-2-fluoroethyl]-1H-pyrrolo[2,3-b]pyridine
CID 141315860
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
CID 171872464
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 55271278
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 58087596
4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
CID 170357892
N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 16725756
3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 139197585
(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine
CID 55273004

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 170418991) is 3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is Clc1ccc(C(c2c[nH]c3ncccc23)c2c[nH]c3ncccc23)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LLPNXLXMUJTGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4/c22-14-7-5-13(6-8-14)19(17-11-25-20-15(17)3-1-9-23-20)18-12-26-21-16(18)4-2-10-24-21/h1-12,19H,(H,23,25)(H,24,26).
What are the key properties of 3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 358.83 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170418991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).