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

C24H25ClFN5O2 — CID 157044458

IUPAC4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC(C)N1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C24H25ClFN5O2/c1-14(2)31-12-19-18(24(31)32)9-22(28-23(19)17-5-4-16(25)8-20(17)26)30-6-7-33-21(13-30)15-10-27-29(3)11-15/h4-5,8-11,14,21H,6-7,12-13H2,1-3H3
InChIKeyPEIBGNCMLRRBIQ-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.22
Rot. Bonds4

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

4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 157044458) has the molecular formula C24H25ClFN5O2 and a molecular weight of 469.95 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID157044458
Molecular FormulaC24H25ClFN5O2
Molecular Weight469.95 g/mol
Exact Mass469.17
IUPAC Name4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC(C)N1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C24H25ClFN5O2/c1-14(2)31-12-19-18(24(31)32)9-22(28-23(19)17-5-4-16(25)8-20(17)26)30-6-7-33-21(13-30)15-10-27-29(3)11-15/h4-5,8-11,14,21H,6-7,12-13H2,1-3H3
InChIKeyPEIBGNCMLRRBIQ-UHFFFAOYSA-N
XLogP4.22
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.22
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-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 157044458) is 4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one is CC(C)N1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is PEIBGNCMLRRBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O2/c1-14(2)31-12-19-18(24(31)32)9-22(28-23(19)17-5-4-16(25)8-20(17)26)30-6-7-33-21(13-30)15-10-27-29(3)11-15/h4-5,8-11,14,21H,6-7,12-13H2,1-3H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(4-chloro-2-fluorophenyl)-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 469.95 g/mol, XLogP of 4.22, 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-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157044458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).