6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C17H25N3O2 — CID 56865337

IUPAC6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CNC(C)C)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C17H25N3O2/c1-11(2)18-9-12-8-14-15(19-16(12)22-3)10-20(17(14)21)13-6-4-5-7-13/h8,11,13,18H,4-7,9-10H2,1-3H3
InChIKeyQPIWUDBLGYVTMQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.49
Rot. Bonds5

About 6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 56865337) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID56865337
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CNC(C)C)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C17H25N3O2/c1-11(2)18-9-12-8-14-15(19-16(12)22-3)10-20(17(14)21)13-6-4-5-7-13/h8,11,13,18H,4-7,9-10H2,1-3H3
InChIKeyQPIWUDBLGYVTMQ-UHFFFAOYSA-N
XLogP2.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 56865337) is 6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1nc2c(cc1CNC(C)C)C(=O)N(C1CCCC1)C2.
What is the InChIKey of 6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is QPIWUDBLGYVTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11(2)18-9-12-8-14-15(19-16(12)22-3)10-20(17(14)21)13-6-4-5-7-13/h8,11,13,18H,4-7,9-10H2,1-3H3.
What are the key properties of 6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 303.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 56865337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).