3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C27H29N5OS — CID 147610657

IUPAC3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3csc(C)n3)C2)C(=O)C4)ccn1
InChIInChI=1S/C27H29N5OS/c1-17-8-19(5-6-28-17)27-25-10-22-13-32(26(33)11-20(22)9-21(25)12-29-27)24-4-3-7-31(15-24)14-23-16-34-18(2)30-23/h5-6,8-10,16,24H,3-4,7,11-15H2,1-2H3/t24-/m1/s1
InChIKeyGBXZCUOBMDQWEK-XMMPIXPASA-N
MW471.63 g/mol
LogP4.06
Rot. Bonds4

About 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 147610657) has the molecular formula C27H29N5OS and a molecular weight of 471.63 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID147610657
Molecular FormulaC27H29N5OS
Molecular Weight471.63 g/mol
Exact Mass471.21
IUPAC Name3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3csc(C)n3)C2)C(=O)C4)ccn1
InChIInChI=1S/C27H29N5OS/c1-17-8-19(5-6-28-17)27-25-10-22-13-32(26(33)11-20(22)9-21(25)12-29-27)24-4-3-7-31(15-24)14-23-16-34-18(2)30-23/h5-6,8-10,16,24H,3-4,7,11-15H2,1-2H3/t24-/m1/s1
InChIKeyGBXZCUOBMDQWEK-XMMPIXPASA-N
XLogP4.06
TPSA61.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one 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 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 147610657) is 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3csc(C)n3)C2)C(=O)C4)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is GBXZCUOBMDQWEK-XMMPIXPASA-N. The full InChI is InChI=1S/C27H29N5OS/c1-17-8-19(5-6-28-17)27-25-10-22-13-32(26(33)11-20(22)9-21(25)12-29-27)24-4-3-7-31(15-24)14-23-16-34-18(2)30-23/h5-6,8-10,16,24H,3-4,7,11-15H2,1-2H3/t24-/m1/s1.
What are the key properties of 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 471.63 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 147610657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).