(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone

C18H23F2N5O — CID 155976040

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
SMILESCn1c(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc2cccnc21
InChIInChI=1S/C18H23F2N5O/c1-23-15-14(3-2-8-21-15)22-17(23)25-9-4-13(5-10-25)16(26)24-11-6-18(19,20)7-12-24/h2-3,8,13H,4-7,9-12H2,1H3
InChIKeyOGWFBIHHUTWWKX-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.44
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone (PubChem CID 155976040) has the molecular formula C18H23F2N5O and a molecular weight of 363.41 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
PubChem CID155976040
Molecular FormulaC18H23F2N5O
Molecular Weight363.41 g/mol
Exact Mass363.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
SMILESCn1c(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc2cccnc21
InChIInChI=1S/C18H23F2N5O/c1-23-15-14(3-2-8-21-15)22-17(23)25-9-4-13(5-10-25)16(26)24-11-6-18(19,20)7-12-24/h2-3,8,13H,4-7,9-12H2,1H3
InChIKeyOGWFBIHHUTWWKX-UHFFFAOYSA-N
XLogP2.44
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358227
1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154582460
1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 46324847
4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781233
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163352856
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976019
(4,4-difluoropiperidin-1-yl)-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 163345847
N,1-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175650443
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
CID 155975856
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165435396
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone
CID 172892577

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone (CID 155976040) is (4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone is Cn1c(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc2cccnc21.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone?
The InChIKey is OGWFBIHHUTWWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O/c1-23-15-14(3-2-8-21-15)22-17(23)25-9-4-13(5-10-25)16(26)24-11-6-18(19,20)7-12-24/h2-3,8,13H,4-7,9-12H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone has a molecular weight of 363.41 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155976040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).