N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide

C21H17F2N5O2 — CID 167141679

IUPACN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)cn1
InChIInChI=1S/C21H17F2N5O2/c1-30-19-10-5-13(11-24-19)21(29)26-15-8-6-14(7-9-15)25-17-3-2-4-18-27-16(20(22)23)12-28(17)18/h2-12,20,25H,1H3,(H,26,29)
InChIKeyJJMFXORBGLGBIY-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.67
Rot. Bonds6

About N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide

N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide (PubChem CID 167141679) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide
PubChem CID167141679
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)cn1
InChIInChI=1S/C21H17F2N5O2/c1-30-19-10-5-13(11-24-19)21(29)26-15-8-6-14(7-9-15)25-17-3-2-4-18-27-16(20(22)23)12-28(17)18/h2-12,20,25H,1H3,(H,26,29)
InChIKeyJJMFXORBGLGBIY-UHFFFAOYSA-N
XLogP4.67
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide (CID 167141679) is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)cn1.
What is the InChIKey of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is JJMFXORBGLGBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-30-19-10-5-13(11-24-19)21(29)26-15-8-6-14(7-9-15)25-17-3-2-4-18-27-16(20(22)23)12-28(17)18/h2-12,20,25H,1H3,(H,26,29).
What are the key properties of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide?
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 167141679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).