(4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone

C22H23F2N5O2 — CID 168987891

IUPAC(4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(-n2ncc3cc(N4CCOCC4)ccc32)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C22H23F2N5O2/c23-22(24)5-7-28(8-6-22)21(30)16-1-4-20(25-14-16)29-19-3-2-18(13-17(19)15-26-29)27-9-11-31-12-10-27/h1-4,13-15H,5-12H2
InChIKeyGMWOLUOGJQSGJW-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.13
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone

(4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone (PubChem CID 168987891) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone
PubChem CID168987891
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Name(4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(-n2ncc3cc(N4CCOCC4)ccc32)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C22H23F2N5O2/c23-22(24)5-7-28(8-6-22)21(30)16-1-4-20(25-14-16)29-19-3-2-18(13-17(19)15-26-29)27-9-11-31-12-10-27/h1-4,13-15H,5-12H2
InChIKeyGMWOLUOGJQSGJW-UHFFFAOYSA-N
XLogP3.13
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 168987901
(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110090789
(4,4-difluoropiperidin-1-yl)-[6-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)-3-pyridinyl]methanone;N,N-dimethylcarbamoyl chloride;ethane
CID 168987913
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959426
[6-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 95561255
N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide
CID 67113374
(4,4-difluoropiperidin-1-yl)-[6-(5-methoxyindazol-2-yl)-3-pyridinyl]methanone
CID 168987929
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109159681
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
4-[6-(4,4-difluoropiperidine-1-carbonyl)triazolo[4,5-b]pyridin-3-yl]benzoic acid
CID 156811179
1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone
CID 147284863
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone (CID 168987891) is (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone is O=C(c1ccc(-n2ncc3cc(N4CCOCC4)ccc32)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone?
The InChIKey is GMWOLUOGJQSGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c23-22(24)5-7-28(8-6-22)21(30)16-1-4-20(25-14-16)29-19-3-2-18(13-17(19)15-26-29)27-9-11-31-12-10-27/h1-4,13-15H,5-12H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone?
(4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone has a molecular weight of 427.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 168987891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).