(6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one

C24H22ClFN6O3 — CID 177004183

IUPAC(6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one
SMILESCC(Nc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(Cl)cn1)[C@H]1CNC(=O)CO1
InChIInChI=1S/C24H22ClFN6O3/c1-14(21-11-28-23(33)13-35-21)30-22-8-20(17(25)10-27-22)31-7-6-19-16(24(31)34)9-29-32(19)12-15-4-2-3-5-18(15)26/h2-10,14,21H,11-13H2,1H3,(H,27,30)(H,28,33)/t14?,21-/m1/s1
InChIKeySJLLKEOPFROVFX-OKKPIIHCSA-N
MW496.93 g/mol
LogP2.74
Rot. Bonds6

About (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one

(6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one (PubChem CID 177004183) has the molecular formula C24H22ClFN6O3 and a molecular weight of 496.93 g/mol. Its IUPAC name is (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one.

Molecular Properties

Compound Name(6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one
PubChem CID177004183
Molecular FormulaC24H22ClFN6O3
Molecular Weight496.93 g/mol
Exact Mass496.14
IUPAC Name(6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one
SMILESCC(Nc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(Cl)cn1)[C@H]1CNC(=O)CO1
InChIInChI=1S/C24H22ClFN6O3/c1-14(21-11-28-23(33)13-35-21)30-22-8-20(17(25)10-27-22)31-7-6-19-16(24(31)34)9-29-32(19)12-15-4-2-3-5-18(15)26/h2-10,14,21H,11-13H2,1H3,(H,27,30)(H,28,33)/t14?,21-/m1/s1
InChIKeySJLLKEOPFROVFX-OKKPIIHCSA-N
XLogP2.74
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.93
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one?
The IUPAC name of (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one (CID 177004183) is (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one.
What is the SMILES notation for (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one?
The canonical SMILES for (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one is CC(Nc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(Cl)cn1)[C@H]1CNC(=O)CO1.
What is the InChIKey of (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one?
The InChIKey is SJLLKEOPFROVFX-OKKPIIHCSA-N. The full InChI is InChI=1S/C24H22ClFN6O3/c1-14(21-11-28-23(33)13-35-21)30-22-8-20(17(25)10-27-22)31-7-6-19-16(24(31)34)9-29-32(19)12-15-4-2-3-5-18(15)26/h2-10,14,21H,11-13H2,1H3,(H,27,30)(H,28,33)/t14?,21-/m1/s1.
What are the key properties of (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one?
(6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one has a molecular weight of 496.93 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[1-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]ethyl]morpholin-3-one is sourced from PubChem (CID 177004183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).