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

C22H22FN5O2 — CID 134808172

IUPAC4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCn1cc(CN2Cc3c(cc(N4CCOCC4)nc3-c3cccc(F)c3)C2=O)cn1
InChIInChI=1S/C22H22FN5O2/c1-26-12-15(11-24-26)13-28-14-19-18(22(28)29)10-20(27-5-7-30-8-6-27)25-21(19)16-3-2-4-17(23)9-16/h2-4,9-12H,5-8,13-14H2,1H3
InChIKeyYINJFXJOZKKYDC-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.61
Rot. Bonds4

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

4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134808172) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134808172
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCn1cc(CN2Cc3c(cc(N4CCOCC4)nc3-c3cccc(F)c3)C2=O)cn1
InChIInChI=1S/C22H22FN5O2/c1-26-12-15(11-24-26)13-28-14-19-18(22(28)29)10-20(27-5-7-30-8-6-27)25-21(19)16-3-2-4-17(23)9-16/h2-4,9-12H,5-8,13-14H2,1H3
InChIKeyYINJFXJOZKKYDC-UHFFFAOYSA-N
XLogP2.61
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134808172) is 4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is Cn1cc(CN2Cc3c(cc(N4CCOCC4)nc3-c3cccc(F)c3)C2=O)cn1.
What is the InChIKey of 4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is YINJFXJOZKKYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-26-12-15(11-24-26)13-28-14-19-18(22(28)29)10-20(27-5-7-30-8-6-27)25-21(19)16-3-2-4-17(23)9-16/h2-4,9-12H,5-8,13-14H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 407.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134808172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).