3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine

C19H21N7 — CID 170715161

IUPAC3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine
SMILESCNc1cccc2c(-c3nc(Nc4cc(C)n(C)n4)ncc3C)c[nH]c12
InChIInChI=1S/C19H21N7/c1-11-9-22-19(23-16-8-12(2)26(4)25-16)24-17(11)14-10-21-18-13(14)6-5-7-15(18)20-3/h5-10,20-21H,1-4H3,(H,22,23,24,25)
InChIKeyJRETZEFPECFNCC-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.76
Rot. Bonds4

About 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine

3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine (PubChem CID 170715161) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine.

Molecular Properties

Compound Name3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine
PubChem CID170715161
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine
SMILESCNc1cccc2c(-c3nc(Nc4cc(C)n(C)n4)ncc3C)c[nH]c12
InChIInChI=1S/C19H21N7/c1-11-9-22-19(23-16-8-12(2)26(4)25-16)24-17(11)14-10-21-18-13(14)6-5-7-15(18)20-3/h5-10,20-21H,1-4H3,(H,22,23,24,25)
InChIKeyJRETZEFPECFNCC-UHFFFAOYSA-N
XLogP3.76
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine?
The IUPAC name of 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine (CID 170715161) is 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine.
What is the SMILES notation for 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine?
The canonical SMILES for 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine is CNc1cccc2c(-c3nc(Nc4cc(C)n(C)n4)ncc3C)c[nH]c12.
What is the InChIKey of 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine?
The InChIKey is JRETZEFPECFNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-11-9-22-19(23-16-8-12(2)26(4)25-16)24-17(11)14-10-21-18-13(14)6-5-7-15(18)20-3/h5-10,20-21H,1-4H3,(H,22,23,24,25).
What are the key properties of 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine?
3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine has a molecular weight of 347.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine is sourced from PubChem (CID 170715161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).