2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one

C21H24N4O3 — CID 134806110

IUPAC2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(-c2nc(N3CCOCC3)cc3c2CN(CC2CC2)C3=O)cn1
InChIInChI=1S/C21H24N4O3/c1-27-19-5-4-15(11-22-19)20-17-13-25(12-14-2-3-14)21(26)16(17)10-18(23-20)24-6-8-28-9-7-24/h4-5,10-11,14H,2-3,6-9,12-13H2,1H3
InChIKeyUBHLMDREYRAUTM-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.35
Rot. Bonds5

About 2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one

2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134806110) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134806110
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(-c2nc(N3CCOCC3)cc3c2CN(CC2CC2)C3=O)cn1
InChIInChI=1S/C21H24N4O3/c1-27-19-5-4-15(11-22-19)20-17-13-25(12-14-2-3-14)21(26)16(17)10-18(23-20)24-6-8-28-9-7-24/h4-5,10-11,14H,2-3,6-9,12-13H2,1H3
InChIKeyUBHLMDREYRAUTM-UHFFFAOYSA-N
XLogP2.35
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134806110) is 2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is COc1ccc(-c2nc(N3CCOCC3)cc3c2CN(CC2CC2)C3=O)cn1.
What is the InChIKey of 2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is UBHLMDREYRAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-19-5-4-15(11-22-19)20-17-13-25(12-14-2-3-14)21(26)16(17)10-18(23-20)24-6-8-28-9-7-24/h4-5,10-11,14H,2-3,6-9,12-13H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 380.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134806110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).