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

C24H23ClFN5O2 — CID 157045677

IUPAC4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN1Cc2c(cc(N3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C24H23ClFN5O2/c1-29-12-19-18(24(29)32)9-22(28-23(19)17-5-2-15(25)8-20(17)26)30-6-7-33-21(13-30)14-10-27-31(11-14)16-3-4-16/h2,5,8-11,16,21H,3-4,6-7,12-13H2,1H3/t21-/m1/s1
InChIKeyLNEOZUHCNGBWPK-OAQYLSRUSA-N
MW467.93 g/mol
LogP4.24
Rot. Bonds4

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

4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 157045677) has the molecular formula C24H23ClFN5O2 and a molecular weight of 467.93 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID157045677
Molecular FormulaC24H23ClFN5O2
Molecular Weight467.93 g/mol
Exact Mass467.15
IUPAC Name4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN1Cc2c(cc(N3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C24H23ClFN5O2/c1-29-12-19-18(24(29)32)9-22(28-23(19)17-5-2-15(25)8-20(17)26)30-6-7-33-21(13-30)14-10-27-31(11-14)16-3-4-16/h2,5,8-11,16,21H,3-4,6-7,12-13H2,1H3/t21-/m1/s1
InChIKeyLNEOZUHCNGBWPK-OAQYLSRUSA-N
XLogP4.24
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 157045677) is 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one is CN1Cc2c(cc(N3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is LNEOZUHCNGBWPK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23ClFN5O2/c1-29-12-19-18(24(29)32)9-22(28-23(19)17-5-2-15(25)8-20(17)26)30-6-7-33-21(13-30)14-10-27-31(11-14)16-3-4-16/h2,5,8-11,16,21H,3-4,6-7,12-13H2,1H3/t21-/m1/s1.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 467.93 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157045677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).