5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C19H16ClN5 — CID 58442139

IUPAC5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2[nH]cc(Cc3cnc(CCc4cccnc4)nc3)c2c1
InChIInChI=1S/C19H16ClN5/c20-16-7-17-15(11-24-19(17)25-12-16)6-14-9-22-18(23-10-14)4-3-13-2-1-5-21-8-13/h1-2,5,7-12H,3-4,6H2,(H,24,25)
InChIKeyATQSZKAXYCKBSX-UHFFFAOYSA-N
MW349.83 g/mol
LogP3.78
Rot. Bonds5

About 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58442139) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58442139
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2[nH]cc(Cc3cnc(CCc4cccnc4)nc3)c2c1
InChIInChI=1S/C19H16ClN5/c20-16-7-17-15(11-24-19(17)25-12-16)6-14-9-22-18(23-10-14)4-3-13-2-1-5-21-8-13/h1-2,5,7-12H,3-4,6H2,(H,24,25)
InChIKeyATQSZKAXYCKBSX-UHFFFAOYSA-N
XLogP3.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

5-chloro-3-[[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58258945
5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442053
5-chloro-3-[[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442231
2-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-N,N-dimethylaniline
CID 58442077
[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine
CID 66971152
4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine
CID 58442252
3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259190
3-[[6-[2-(6-bromo-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine
CID 58259158
3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259318
5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58338437
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrimidin-2-amine
CID 67201463
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 54589335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58442139) is 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is Clc1cnc2[nH]cc(Cc3cnc(CCc4cccnc4)nc3)c2c1.
What is the InChIKey of 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ATQSZKAXYCKBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c20-16-7-17-15(11-24-19(17)25-12-16)6-14-9-22-18(23-10-14)4-3-13-2-1-5-21-8-13/h1-2,5,7-12H,3-4,6H2,(H,24,25).
What are the key properties of 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 349.83 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58442139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).