6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C22H24N6O2 — CID 154816155

IUPAC6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1Cn1ccnc1-c1cnc(C)nc1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C22H24N6O2/c1-14-24-10-16(11-25-14)20-23-7-8-27(20)12-15-9-18-19(26-21(15)30-2)13-28(22(18)29)17-5-3-4-6-17/h7-11,17H,3-6,12-13H2,1-2H3
InChIKeyYWWUOWRRYDMPRF-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.00
Rot. Bonds5

About 6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 154816155) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID154816155
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1Cn1ccnc1-c1cnc(C)nc1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C22H24N6O2/c1-14-24-10-16(11-25-14)20-23-7-8-27(20)12-15-9-18-19(26-21(15)30-2)13-28(22(18)29)17-5-3-4-6-17/h7-11,17H,3-6,12-13H2,1-2H3
InChIKeyYWWUOWRRYDMPRF-UHFFFAOYSA-N
XLogP3.00
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 154816155) is 6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1nc2c(cc1Cn1ccnc1-c1cnc(C)nc1)C(=O)N(C1CCCC1)C2.
What is the InChIKey of 6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is YWWUOWRRYDMPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-24-10-16(11-25-14)20-23-7-8-27(20)12-15-9-18-19(26-21(15)30-2)13-28(22(18)29)17-5-3-4-6-17/h7-11,17H,3-6,12-13H2,1-2H3.
What are the key properties of 6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 404.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 154816155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).