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

C24H25ClFN5O2 — CID 174185344

IUPAC4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCCN1Cc2c(cc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C24H25ClFN5O2/c1-3-6-31-13-19-18(24(31)32)10-22(28-23(19)17-5-4-16(25)9-20(17)26)30-7-8-33-21(14-30)15-11-27-29(2)12-15/h4-5,9-12,21H,3,6-8,13-14H2,1-2H3/t21-/m1/s1
InChIKeyMMFWXBVZIZSLTQ-OAQYLSRUSA-N
MW469.95 g/mol
LogP4.22
Rot. Bonds5

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

4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 174185344) has the molecular formula C24H25ClFN5O2 and a molecular weight of 469.95 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID174185344
Molecular FormulaC24H25ClFN5O2
Molecular Weight469.95 g/mol
Exact Mass469.17
IUPAC Name4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCCN1Cc2c(cc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C24H25ClFN5O2/c1-3-6-31-13-19-18(24(31)32)10-22(28-23(19)17-5-4-16(25)9-20(17)26)30-7-8-33-21(14-30)15-11-27-29(2)12-15/h4-5,9-12,21H,3,6-8,13-14H2,1-2H3/t21-/m1/s1
InChIKeyMMFWXBVZIZSLTQ-OAQYLSRUSA-N
XLogP4.22
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
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

Analyze 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Related Compounds

US11186582, Example 214
CID 118471523
4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134808172
US11186582, Example 545
CID 118471095
US11186582, Example 219
CID 118479689
4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134805426
2-methyl-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134805445
4-[3-(dimethylamino)phenyl]-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134806436
2-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134809903
2-[(1-methylpyrazol-4-yl)methyl]-4-(6-methyl-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134809933
4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134809986
2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134810012
N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide
CID 134810049

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 174185344) is 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one is CCCN1Cc2c(cc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2-c2ccc(Cl)cc2F)C1=O.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is MMFWXBVZIZSLTQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25ClFN5O2/c1-3-6-31-13-19-18(24(31)32)10-22(28-23(19)17-5-4-16(25)9-20(17)26)30-7-8-33-21(14-30)15-11-27-29(2)12-15/h4-5,9-12,21H,3,6-8,13-14H2,1-2H3/t21-/m1/s1.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 469.95 g/mol, XLogP of 4.22, 5 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-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 174185344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).