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

C21H17F4N5O — CID 164558481

IUPAC1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)cn1C(F)F
InChIInChI=1S/C21H17F4N5O/c1-12-9-13(10-29(12)21(24)25)20(31)27-15-7-5-14(6-8-15)26-17-3-2-4-18-28-16(19(22)23)11-30(17)18/h2-11,19,21,26H,1H3,(H,27,31)
InChIKeyDIPMFNDELAMUMU-UHFFFAOYSA-N
MW431.39 g/mol
LogP5.77
Rot. Bonds6

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

1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide (PubChem CID 164558481) has the molecular formula C21H17F4N5O and a molecular weight of 431.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide
PubChem CID164558481
Molecular FormulaC21H17F4N5O
Molecular Weight431.39 g/mol
Exact Mass431.14
IUPAC Name1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)cn1C(F)F
InChIInChI=1S/C21H17F4N5O/c1-12-9-13(10-29(12)21(24)25)20(31)27-15-7-5-14(6-8-15)26-17-3-2-4-18-28-16(19(22)23)11-30(17)18/h2-11,19,21,26H,1H3,(H,27,31)
InChIKeyDIPMFNDELAMUMU-UHFFFAOYSA-N
XLogP5.77
TPSA63.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.39
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide (CID 164558481) is 1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)cn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide?
The InChIKey is DIPMFNDELAMUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5O/c1-12-9-13(10-29(12)21(24)25)20(31)27-15-7-5-14(6-8-15)26-17-3-2-4-18-28-16(19(22)23)11-30(17)18/h2-11,19,21,26H,1H3,(H,27,31).
What are the key properties of 1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide?
1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide has a molecular weight of 431.39 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide is sourced from PubChem (CID 164558481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).