[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone

C19H24FN5O2 — CID 167892231

IUPAC[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
SMILESO=C(c1ccc(NCCN2CCOCC2)c(F)c1)N1CCCc2[nH]ncc21
InChIInChI=1S/C19H24FN5O2/c20-15-12-14(19(26)25-6-1-2-17-18(25)13-22-23-17)3-4-16(15)21-5-7-24-8-10-27-11-9-24/h3-4,12-13,21H,1-2,5-11H2,(H,22,23)
InChIKeyWFMHNOCTZGLXRX-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.89
Rot. Bonds5

About [3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone

[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone (PubChem CID 167892231) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is [3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
PubChem CID167892231
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
SMILESO=C(c1ccc(NCCN2CCOCC2)c(F)c1)N1CCCc2[nH]ncc21
InChIInChI=1S/C19H24FN5O2/c20-15-12-14(19(26)25-6-1-2-17-18(25)13-22-23-17)3-4-16(15)21-5-7-24-8-10-27-11-9-24/h3-4,12-13,21H,1-2,5-11H2,(H,22,23)
InChIKeyWFMHNOCTZGLXRX-UHFFFAOYSA-N
XLogP1.89
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(2-morpholin-4-ylethylamino)benzenecarbothioamide
CID 43657809
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
N-(2,4-difluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185897
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-fluoro-4-(2-morpholin-4-ylethylamino)benzoate;2,2,2-trifluoroacetic acid
CID 167809506
3-fluoro-4-(3-pyrrolidin-1-ylpropylamino)benzoic acid
CID 62993477
3,4-dihydro-2H-quinolin-1-yl-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]methanone
CID 109185837
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160375
N-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185855
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181785
4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045931
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
(3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 138039098

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The IUPAC name of [3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone (CID 167892231) is [3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone.
What is the SMILES notation for [3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The canonical SMILES for [3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone is O=C(c1ccc(NCCN2CCOCC2)c(F)c1)N1CCCc2[nH]ncc21.
What is the InChIKey of [3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The InChIKey is WFMHNOCTZGLXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c20-15-12-14(19(26)25-6-1-2-17-18(25)13-22-23-17)3-4-16(15)21-5-7-24-8-10-27-11-9-24/h3-4,12-13,21H,1-2,5-11H2,(H,22,23).
What are the key properties of [3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone has a molecular weight of 373.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone is sourced from PubChem (CID 167892231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).