4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one

C22H22N6O — CID 155298344

IUPAC4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one
SMILESCNc1ccc(-c2cnc(Nc3cnc(C4CC4)nc3)cc2C)c2c1C(=O)NC2
InChIInChI=1S/C22H22N6O/c1-12-7-19(28-14-8-25-21(26-9-14)13-3-4-13)24-10-16(12)15-5-6-18(23-2)20-17(15)11-27-22(20)29/h5-10,13,23H,3-4,11H2,1-2H3,(H,24,28)(H,27,29)
InChIKeyPAUUYAAODDWRPA-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.75
Rot. Bonds5

About 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one

4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one (PubChem CID 155298344) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one
PubChem CID155298344
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one
SMILESCNc1ccc(-c2cnc(Nc3cnc(C4CC4)nc3)cc2C)c2c1C(=O)NC2
InChIInChI=1S/C22H22N6O/c1-12-7-19(28-14-8-25-21(26-9-14)13-3-4-13)24-10-16(12)15-5-6-18(23-2)20-17(15)11-27-22(20)29/h5-10,13,23H,3-4,11H2,1-2H3,(H,24,28)(H,27,29)
InChIKeyPAUUYAAODDWRPA-UHFFFAOYSA-N
XLogP3.75
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one (CID 155298344) is 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one is CNc1ccc(-c2cnc(Nc3cnc(C4CC4)nc3)cc2C)c2c1C(=O)NC2.
What is the InChIKey of 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
The InChIKey is PAUUYAAODDWRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-12-7-19(28-14-8-25-21(26-9-14)13-3-4-13)24-10-16(12)15-5-6-18(23-2)20-17(15)11-27-22(20)29/h5-10,13,23H,3-4,11H2,1-2H3,(H,24,28)(H,27,29).
What are the key properties of 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one has a molecular weight of 386.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 155298344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).