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

C19H23N5O2 — CID 134809903

IUPAC2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCn1cc(-c2nc(N3CCOCC3)cc3c2CN(CC2CC2)C3=O)cn1
InChIInChI=1S/C19H23N5O2/c1-22-11-14(9-20-22)18-16-12-24(10-13-2-3-13)19(25)15(16)8-17(21-18)23-4-6-26-7-5-23/h8-9,11,13H,2-7,10,12H2,1H3
InChIKeyPOHJKSDLZKKUCX-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.68
Rot. Bonds4

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

2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134809903) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134809903
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCn1cc(-c2nc(N3CCOCC3)cc3c2CN(CC2CC2)C3=O)cn1
InChIInChI=1S/C19H23N5O2/c1-22-11-14(9-20-22)18-16-12-24(10-13-2-3-13)19(25)15(16)8-17(21-18)23-4-6-26-7-5-23/h8-9,11,13H,2-7,10,12H2,1H3
InChIKeyPOHJKSDLZKKUCX-UHFFFAOYSA-N
XLogP1.68
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134809903) is 2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is Cn1cc(-c2nc(N3CCOCC3)cc3c2CN(CC2CC2)C3=O)cn1.
What is the InChIKey of 2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is POHJKSDLZKKUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-22-11-14(9-20-22)18-16-12-24(10-13-2-3-13)19(25)15(16)8-17(21-18)23-4-6-26-7-5-23/h8-9,11,13H,2-7,10,12H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 353.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134809903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).