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

C23H23N5O — CID 155298316

IUPAC4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one
SMILESCNc1ccc(-c2cnc(Nc3ccc(C4CC4)nc3)cc2C)c2c1C(=O)NC2
InChIInChI=1S/C23H23N5O/c1-13-9-21(28-15-5-7-19(25-10-15)14-3-4-14)26-11-17(13)16-6-8-20(24-2)22-18(16)12-27-23(22)29/h5-11,14,24H,3-4,12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyYDFBJGKBHVXXHH-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.36
Rot. Bonds5

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

4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one (PubChem CID 155298316) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one
PubChem CID155298316
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one
SMILESCNc1ccc(-c2cnc(Nc3ccc(C4CC4)nc3)cc2C)c2c1C(=O)NC2
InChIInChI=1S/C23H23N5O/c1-13-9-21(28-15-5-7-19(25-10-15)14-3-4-14)26-11-17(13)16-6-8-20(24-2)22-18(16)12-27-23(22)29/h5-11,14,24H,3-4,12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyYDFBJGKBHVXXHH-UHFFFAOYSA-N
XLogP4.36
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one (CID 155298316) is 4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one is CNc1ccc(-c2cnc(Nc3ccc(C4CC4)nc3)cc2C)c2c1C(=O)NC2.
What is the InChIKey of 4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
The InChIKey is YDFBJGKBHVXXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-13-9-21(28-15-5-7-19(25-10-15)14-3-4-14)26-11-17(13)16-6-8-20(24-2)22-18(16)12-27-23(22)29/h5-11,14,24H,3-4,12H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one has a molecular weight of 385.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(6-cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 155298316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).