4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C17H20N6 — CID 141257532

IUPAC4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2c[nH]c3nccc(N4CCN(C)CC4)c23)ncn1
InChIInChI=1S/C17H20N6/c1-12-9-14(21-11-20-12)13-10-19-17-16(13)15(3-4-18-17)23-7-5-22(2)6-8-23/h3-4,9-11H,5-8H2,1-2H3,(H,18,19)
InChIKeyKRFVVSONOCVVOE-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.08
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141257532) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID141257532
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2c[nH]c3nccc(N4CCN(C)CC4)c23)ncn1
InChIInChI=1S/C17H20N6/c1-12-9-14(21-11-20-12)13-10-19-17-16(13)15(3-4-18-17)23-7-5-22(2)6-8-23/h3-4,9-11H,5-8H2,1-2H3,(H,18,19)
InChIKeyKRFVVSONOCVVOE-UHFFFAOYSA-N
XLogP2.08
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
CID 168805685
7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 175888449
4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 90783272
1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide
CID 118190053
4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine
CID 118190035
1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidine-3,4-diol
CID 75089872
4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167687788
2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole
CID 138570550
4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395795
6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine
CID 165156679
4-[4-[(3R)-3-methoxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 45102583
(3S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
CID 45102218

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 141257532) is 4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1cc(-c2c[nH]c3nccc(N4CCN(C)CC4)c23)ncn1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KRFVVSONOCVVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-12-9-14(21-11-20-12)13-10-19-17-16(13)15(3-4-18-17)23-7-5-22(2)6-8-23/h3-4,9-11H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 308.39 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-3-(6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141257532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).