(4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone

C20H17F2N7O — CID 167448515

IUPAC(4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone
SMILESO=C(c1ccn2c(-c3ccc(-c4ncn[nH]4)nc3)cnc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C20H17F2N7O/c21-20(22)4-7-28(8-5-20)19(30)13-3-6-29-16(11-24-17(29)9-13)14-1-2-15(23-10-14)18-25-12-26-27-18/h1-3,6,9-12H,4-5,7-8H2,(H,25,26,27)
InChIKeyMYLWOUJVOXBVCS-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.05
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone

(4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 167448515) has the molecular formula C20H17F2N7O and a molecular weight of 409.40 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID167448515
Molecular FormulaC20H17F2N7O
Molecular Weight409.40 g/mol
Exact Mass409.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone
SMILESO=C(c1ccn2c(-c3ccc(-c4ncn[nH]4)nc3)cnc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C20H17F2N7O/c21-20(22)4-7-28(8-5-20)19(30)13-3-6-29-16(11-24-17(29)9-13)14-1-2-15(23-10-14)18-25-12-26-27-18/h1-3,6,9-12H,4-5,7-8H2,(H,25,26,27)
InChIKeyMYLWOUJVOXBVCS-UHFFFAOYSA-N
XLogP3.05
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 156810954
(4,4-difluoropiperidin-1-yl)-[1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazol-5-yl]methanone
CID 167448558
(4,4-difluoropiperidin-1-yl)-[1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167448830
(4-fluoro-4-methylpiperidin-1-yl)-[1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 164986495
(4,4-difluoropiperidin-1-yl)-[1-[5-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 156810824
6-azaspiro[2.5]octan-6-yl-[1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167449033
(4,4-difluoropiperidin-1-yl)-[1-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167449039
(4,4-difluoropiperidin-1-yl)-[1-[5-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167448875
azepan-1-yl-[1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167448880
azetidin-1-yl-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
CID 57497689
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone (CID 167448515) is (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone is O=C(c1ccn2c(-c3ccc(-c4ncn[nH]4)nc3)cnc2c1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is MYLWOUJVOXBVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O/c21-20(22)4-7-28(8-5-20)19(30)13-3-6-29-16(11-24-17(29)9-13)14-1-2-15(23-10-14)18-25-12-26-27-18/h1-3,6,9-12H,4-5,7-8H2,(H,25,26,27).
What are the key properties of (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 409.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 167448515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).