4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C20H20N6 — CID 56902926

IUPAC4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCCc1cnc(C)nc1-c1cc(NCc2ccncc2)nc2[nH]ccc12
InChIInChI=1S/C20H20N6/c1-3-15-12-23-13(2)25-19(15)17-10-18(26-20-16(17)6-9-22-20)24-11-14-4-7-21-8-5-14/h4-10,12H,3,11H2,1-2H3,(H2,22,24,26)
InChIKeyYGYTWWIJVUZKTP-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.90
Rot. Bonds5

About 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56902926) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56902926
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCCc1cnc(C)nc1-c1cc(NCc2ccncc2)nc2[nH]ccc12
InChIInChI=1S/C20H20N6/c1-3-15-12-23-13(2)25-19(15)17-10-18(26-20-16(17)6-9-22-20)24-11-14-4-7-21-8-5-14/h4-10,12H,3,11H2,1-2H3,(H2,22,24,26)
InChIKeyYGYTWWIJVUZKTP-UHFFFAOYSA-N
XLogP3.90
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 146338738
2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 56905136
4-(4-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70754705
4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70758658
2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167880529
N-(pyridin-3-ylmethyl)-4-(4,5,6-trimethyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910898
[2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol
CID 56887832
4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70716202
4-(3,6-dimethylpyrazin-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70769027
N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
CID 70775168
4-(6-amino-2-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56895349
N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine
CID 171679809

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56902926) is 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is CCc1cnc(C)nc1-c1cc(NCc2ccncc2)nc2[nH]ccc12.
What is the InChIKey of 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is YGYTWWIJVUZKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-3-15-12-23-13(2)25-19(15)17-10-18(26-20-16(17)6-9-22-20)24-11-14-4-7-21-8-5-14/h4-10,12H,3,11H2,1-2H3,(H2,22,24,26).
What are the key properties of 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 344.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56902926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).