1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine

C17H16N6 — CID 90468214

IUPAC1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine
SMILESCn1cc(-c2cc3cnc(Nc4cccnc4)cc3n2C)cn1
InChIInChI=1S/C17H16N6/c1-22-11-13(9-20-22)15-6-12-8-19-17(7-16(12)23(15)2)21-14-4-3-5-18-10-14/h3-11H,1-2H3,(H,19,21)
InChIKeyUFUJHOLAUPBZQT-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.11
Rot. Bonds3

About 1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine

1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine (PubChem CID 90468214) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine
PubChem CID90468214
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine
SMILESCn1cc(-c2cc3cnc(Nc4cccnc4)cc3n2C)cn1
InChIInChI=1S/C17H16N6/c1-22-11-13(9-20-22)15-6-12-8-19-17(7-16(12)23(15)2)21-14-4-3-5-18-10-14/h3-11H,1-2H3,(H,19,21)
InChIKeyUFUJHOLAUPBZQT-UHFFFAOYSA-N
XLogP3.11
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine (CID 90468214) is 1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine is Cn1cc(-c2cc3cnc(Nc4cccnc4)cc3n2C)cn1.
What is the InChIKey of 1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is UFUJHOLAUPBZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-22-11-13(9-20-22)15-6-12-8-19-17(7-16(12)23(15)2)21-14-4-3-5-18-10-14/h3-11H,1-2H3,(H,19,21).
What are the key properties of 1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine?
1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 304.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 90468214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).