(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one

C19H17ClFN5O — CID 162784343

IUPAC(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one
SMILESO=C1[C@@H](Cc2ccc(F)nc2)CCCN1c1n[nH]c(-c2ccncc2)c1Cl
InChIInChI=1S/C19H17ClFN5O/c20-16-17(13-5-7-22-8-6-13)24-25-18(16)26-9-1-2-14(19(26)27)10-12-3-4-15(21)23-11-12/h3-8,11,14H,1-2,9-10H2,(H,24,25)/t14-/m1/s1
InChIKeyMYYZEEKLVAIZJQ-CQSZACIVSA-N
MW385.83 g/mol
LogP3.64
Rot. Bonds4

About (3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one

(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one (PubChem CID 162784343) has the molecular formula C19H17ClFN5O and a molecular weight of 385.83 g/mol. Its IUPAC name is (3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one
PubChem CID162784343
Molecular FormulaC19H17ClFN5O
Molecular Weight385.83 g/mol
Exact Mass385.11
IUPAC Name(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one
SMILESO=C1[C@@H](Cc2ccc(F)nc2)CCCN1c1n[nH]c(-c2ccncc2)c1Cl
InChIInChI=1S/C19H17ClFN5O/c20-16-17(13-5-7-22-8-6-13)24-25-18(16)26-9-1-2-14(19(26)27)10-12-3-4-15(21)23-11-12/h3-8,11,14H,1-2,9-10H2,(H,24,25)/t14-/m1/s1
InChIKeyMYYZEEKLVAIZJQ-CQSZACIVSA-N
XLogP3.64
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(3S)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 162784395
(3S)-3-[(6-chloro-3-pyridinyl)methyl]-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784442
3-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784501
(3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
CID 162784521
3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162784460
(3S)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(6-pyridin-4-yl-3-pyridinyl)pyrrolidin-2-one
CID 177188686
(3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)azepan-2-one
CID 162784532
ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane
CID 162740263
3-[(4-chloro-3-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784385
3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
CID 162784483
(3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784547
(3R)-5,5-difluoro-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784424

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one?
The IUPAC name of (3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one (CID 162784343) is (3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one.
What is the SMILES notation for (3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one?
The canonical SMILES for (3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one is O=C1[C@@H](Cc2ccc(F)nc2)CCCN1c1n[nH]c(-c2ccncc2)c1Cl.
What is the InChIKey of (3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one?
The InChIKey is MYYZEEKLVAIZJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17ClFN5O/c20-16-17(13-5-7-22-8-6-13)24-25-18(16)26-9-1-2-14(19(26)27)10-12-3-4-15(21)23-11-12/h3-8,11,14H,1-2,9-10H2,(H,24,25)/t14-/m1/s1.
What are the key properties of (3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one?
(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one has a molecular weight of 385.83 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one is sourced from PubChem (CID 162784343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).