7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane

C27H30N6O2 — CID 156652179

IUPAC7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane
SMILESC1CCOC1.CNCc1cccc(Nc2ccc(-c3cnc4cc(C)ccn34)c3c2C(=O)NC3)n1
InChIInChI=1S/C23H22N6O.C4H8O/c1-14-8-9-29-19(13-25-21(29)10-14)16-6-7-18(22-17(16)12-26-23(22)30)28-20-5-3-4-15(27-20)11-24-2;1-2-4-5-3-1/h3-10,13,24H,11-12H2,1-2H3,(H,26,30)(H,27,28);1-4H2
InChIKeyCBKCAWVAUWIXDC-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.21
Rot. Bonds5

About 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane

7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane (PubChem CID 156652179) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane.

Molecular Properties

Compound Name7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane
PubChem CID156652179
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane
SMILESC1CCOC1.CNCc1cccc(Nc2ccc(-c3cnc4cc(C)ccn34)c3c2C(=O)NC3)n1
InChIInChI=1S/C23H22N6O.C4H8O/c1-14-8-9-29-19(13-25-21(29)10-14)16-6-7-18(22-17(16)12-26-23(22)30)28-20-5-3-4-15(27-20)11-24-2;1-2-4-5-3-1/h3-10,13,24H,11-12H2,1-2H3,(H,26,30)(H,27,28);1-4H2
InChIKeyCBKCAWVAUWIXDC-UHFFFAOYSA-N
XLogP4.21
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane?
The IUPAC name of 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane (CID 156652179) is 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane.
What is the SMILES notation for 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane?
The canonical SMILES for 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane is C1CCOC1.CNCc1cccc(Nc2ccc(-c3cnc4cc(C)ccn34)c3c2C(=O)NC3)n1.
What is the InChIKey of 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane?
The InChIKey is CBKCAWVAUWIXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O.C4H8O/c1-14-8-9-29-19(13-25-21(29)10-14)16-6-7-18(22-17(16)12-26-23(22)30)28-20-5-3-4-15(27-20)11-24-2;1-2-4-5-3-1/h3-10,13,24H,11-12H2,1-2H3,(H,26,30)(H,27,28);1-4H2.
What are the key properties of 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane?
7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane has a molecular weight of 470.58 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane is sourced from PubChem (CID 156652179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).