1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole

C17H15N5 — CID 175873323

IUPAC1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole
SMILESCn1cc(-c2ccc3c(-c4ccncn4)cn(C)c3c2)cn1
InChIInChI=1S/C17H15N5/c1-21-10-15(16-5-6-18-11-19-16)14-4-3-12(7-17(14)21)13-8-20-22(2)9-13/h3-11H,1-2H3
InChIKeyNKHRJQOWXBXZRR-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.04
Rot. Bonds2

About 1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole

1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole (PubChem CID 175873323) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole.

Molecular Properties

Compound Name1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole
PubChem CID175873323
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole
SMILESCn1cc(-c2ccc3c(-c4ccncn4)cn(C)c3c2)cn1
InChIInChI=1S/C17H15N5/c1-21-10-15(16-5-6-18-11-19-16)14-4-3-12(7-17(14)21)13-8-20-22(2)9-13/h3-11H,1-2H3
InChIKeyNKHRJQOWXBXZRR-UHFFFAOYSA-N
XLogP3.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
5-iodo-1-methyl-3-pyrimidin-4-ylindole
CID 58221787
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205
N-[2-[2-methyl-6-(1-methylpyrazol-4-yl)-1-oxoisoquinolin-4-yl]-4-pyridinyl]ethanesulfonamide
CID 118022049
N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine
CID 106715921
6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole
CID 118930242
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one
CID 58016351
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline
CID 176978878
8-(1-methylpyrazol-4-yl)-2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 168926384
2-deuterio-4-(1-methylpyrazol-4-yl)pyridine
CID 175847342

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole?
The IUPAC name of 1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole (CID 175873323) is 1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole.
What is the SMILES notation for 1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole?
The canonical SMILES for 1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole is Cn1cc(-c2ccc3c(-c4ccncn4)cn(C)c3c2)cn1.
What is the InChIKey of 1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole?
The InChIKey is NKHRJQOWXBXZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-21-10-15(16-5-6-18-11-19-16)14-4-3-12(7-17(14)21)13-8-20-22(2)9-13/h3-11H,1-2H3.
What are the key properties of 1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole?
1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole has a molecular weight of 289.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole is sourced from PubChem (CID 175873323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).