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

C23H23ClFN5O2 — CID 157045590

IUPAC4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C23H23ClFN5O2/c1-3-29-12-18-17(23(29)31)9-21(27-22(18)16-5-4-15(24)8-19(16)25)30-6-7-32-20(13-30)14-10-26-28(2)11-14/h4-5,8-11,20H,3,6-7,12-13H2,1-2H3
InChIKeyLBKFFSWSXCBEPE-UHFFFAOYSA-N
MW455.92 g/mol
LogP3.83
Rot. Bonds4

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

4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 157045590) has the molecular formula C23H23ClFN5O2 and a molecular weight of 455.92 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID157045590
Molecular FormulaC23H23ClFN5O2
Molecular Weight455.92 g/mol
Exact Mass455.15
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C23H23ClFN5O2/c1-3-29-12-18-17(23(29)31)9-21(27-22(18)16-5-4-15(24)8-19(16)25)30-6-7-32-20(13-30)14-10-26-28(2)11-14/h4-5,8-11,20H,3,6-7,12-13H2,1-2H3
InChIKeyLBKFFSWSXCBEPE-UHFFFAOYSA-N
XLogP3.83
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 53.83
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)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 157045590) is 4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCN1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is LBKFFSWSXCBEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O2/c1-3-29-12-18-17(23(29)31)9-21(27-22(18)16-5-4-15(24)8-19(16)25)30-6-7-32-20(13-30)14-10-26-28(2)11-14/h4-5,8-11,20H,3,6-7,12-13H2,1-2H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(4-chloro-2-fluorophenyl)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 455.92 g/mol, XLogP of 3.83, 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)-2-ethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157045590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).