2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide

C19H18FN5O2 — CID 47041230

IUPAC2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN5O2/c20-15-6-4-14(5-7-15)17-13-24(11-12-27-17)19(26)23-16-3-1-8-21-18(16)25-10-2-9-22-25/h1-10,17H,11-13H2,(H,23,26)
InChIKeyXWTMEEFIDIUGOE-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.01
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide

2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide (PubChem CID 47041230) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide
PubChem CID47041230
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN5O2/c20-15-6-4-14(5-7-15)17-13-24(11-12-27-17)19(26)23-16-3-1-8-21-18(16)25-10-2-9-22-25/h1-10,17H,11-13H2,(H,23,26)
InChIKeyXWTMEEFIDIUGOE-UHFFFAOYSA-N
XLogP3.01
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)-3-(1-methyl-1H-pyrazol-4-yl)urea
CID 53236823
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)oxan-3-amine
CID 127052289
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
(5S,9Z)-13-ethyl-6,6-dimethyl-5-phenyl-7-oxa-2,4,13,14,18-pentazatricyclo[9.6.1.012,16]octadeca-1(18),9,11,14,16-pentaen-3-one
CID 121428620
N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
US9815842, Example 114
CID 118540231
US9758538, Example 105
CID 124193950
Zurletrectinib
CID 156371488
N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]acetamide
CID 44561494
(R)-N-(5-(2-(3-fluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)morpholine-4-carboxamide
CID 58386309
1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086678
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 71086718

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide (CID 47041230) is 2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide is O=C(Nc1cccnc1-n1cccn1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide?
The InChIKey is XWTMEEFIDIUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-15-6-4-14(5-7-15)17-13-24(11-12-27-17)19(26)23-16-3-1-8-21-18(16)25-10-2-9-22-25/h1-10,17H,11-13H2,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide?
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)morpholine-4-carboxamide is sourced from PubChem (CID 47041230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).