6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide

C20H19F2N5O4 — CID 155166641

IUPAC6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cn3cc(C4COCCO4)nc3cc2C(N)=O)n1
InChIInChI=1S/C20H19F2N5O4/c1-20(21,22)16-4-2-3-12(24-16)19(29)26-13-8-27-9-14(15-10-30-5-6-31-15)25-17(27)7-11(13)18(23)28/h2-4,7-9,15H,5-6,10H2,1H3,(H2,23,28)(H,26,29)
InChIKeyBYWNBSQKPHIBCV-UHFFFAOYSA-N
MW431.40 g/mol
LogP2.28
Rot. Bonds5

About 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide

6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 155166641) has the molecular formula C20H19F2N5O4 and a molecular weight of 431.40 g/mol. Its IUPAC name is 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID155166641
Molecular FormulaC20H19F2N5O4
Molecular Weight431.40 g/mol
Exact Mass431.14
IUPAC Name6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cn3cc(C4COCCO4)nc3cc2C(N)=O)n1
InChIInChI=1S/C20H19F2N5O4/c1-20(21,22)16-4-2-3-12(24-16)19(29)26-13-8-27-9-14(15-10-30-5-6-31-15)25-17(27)7-11(13)18(23)28/h2-4,7-9,15H,5-6,10H2,1H3,(H2,23,28)(H,26,29)
InChIKeyBYWNBSQKPHIBCV-UHFFFAOYSA-N
XLogP2.28
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide (CID 155166641) is 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide is CC(F)(F)c1cccc(C(=O)Nc2cn3cc(C4COCCO4)nc3cc2C(N)=O)n1.
What is the InChIKey of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is BYWNBSQKPHIBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O4/c1-20(21,22)16-4-2-3-12(24-16)19(29)26-13-8-27-9-14(15-10-30-5-6-31-15)25-17(27)7-11(13)18(23)28/h2-4,7-9,15H,5-6,10H2,1H3,(H2,23,28)(H,26,29).
What are the key properties of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 431.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 155166641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).