4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine

C18H21N5O — CID 168805685

IUPAC4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccnc2[nH]cc(-c3cccnc3N3CCN(C)CC3)c12
InChIInChI=1S/C18H21N5O/c1-22-8-10-23(11-9-22)18-13(4-3-6-20-18)14-12-21-17-16(14)15(24-2)5-7-19-17/h3-7,12H,8-11H2,1-2H3,(H,19,21)
InChIKeyQPQKKJCYYZJQCG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.39
Rot. Bonds3

About 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine

4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 168805685) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID168805685
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccnc2[nH]cc(-c3cccnc3N3CCN(C)CC3)c12
InChIInChI=1S/C18H21N5O/c1-22-8-10-23(11-9-22)18-13(4-3-6-20-18)14-12-21-17-16(14)15(24-2)5-7-19-17/h3-7,12H,8-11H2,1-2H3,(H,19,21)
InChIKeyQPQKKJCYYZJQCG-UHFFFAOYSA-N
XLogP2.39
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84655944
4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 53412885
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 141257532
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
CID 44614492
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 1470924
4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
CID 126518807
N-[[4-[4-[(1-methylpyrrolidin-3-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]methanesulfonamide
CID 146333143
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302129

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (CID 168805685) is 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is COc1ccnc2[nH]cc(-c3cccnc3N3CCN(C)CC3)c12.
What is the InChIKey of 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QPQKKJCYYZJQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-8-10-23(11-9-22)18-13(4-3-6-20-18)14-12-21-17-16(14)15(24-2)5-7-19-17/h3-7,12H,8-11H2,1-2H3,(H,19,21).
What are the key properties of 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 323.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 168805685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).