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

C22H21ClFN5O2 — CID 157045106

IUPAC4-(4-chloro-2-fluorophenyl)-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C22H21ClFN5O2/c1-27-11-17-16(22(27)30)8-20(26-21(17)15-4-3-14(23)7-18(15)24)29-5-6-31-19(12-29)13-9-25-28(2)10-13/h3-4,7-10,19H,5-6,11-12H2,1-2H3
InChIKeyUWSGPDLYHRHATR-UHFFFAOYSA-N
MW441.89 g/mol
LogP3.44
Rot. Bonds3

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

4-(4-chloro-2-fluorophenyl)-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 157045106) has the molecular formula C22H21ClFN5O2 and a molecular weight of 441.89 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-methyl-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-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID157045106
Molecular FormulaC22H21ClFN5O2
Molecular Weight441.89 g/mol
Exact Mass441.14
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C22H21ClFN5O2/c1-27-11-17-16(22(27)30)8-20(26-21(17)15-4-3-14(23)7-18(15)24)29-5-6-31-19(12-29)13-9-25-28(2)10-13/h3-4,7-10,19H,5-6,11-12H2,1-2H3
InChIKeyUWSGPDLYHRHATR-UHFFFAOYSA-N
XLogP3.44
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.44
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-methyl-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-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 157045106) is 4-(4-chloro-2-fluorophenyl)-2-methyl-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-methyl-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-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is CN1Cc2c(cc(N3CCOC(c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is UWSGPDLYHRHATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O2/c1-27-11-17-16(22(27)30)8-20(26-21(17)15-4-3-14(23)7-18(15)24)29-5-6-31-19(12-29)13-9-25-28(2)10-13/h3-4,7-10,19H,5-6,11-12H2,1-2H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(4-chloro-2-fluorophenyl)-2-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 441.89 g/mol, XLogP of 3.44, 3 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-methyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157045106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).