2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide

C22H28F2N6O2 — CID 167877881

IUPAC2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC(=O)NC2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1
InChIInChI=1S/C22H28F2N6O2/c1-25-21(31)13-29-8-6-15(7-9-29)26-22(32)27-16-3-5-20-28-19(12-30(20)11-16)17-4-2-14(23)10-18(17)24/h2,4,10,12,15-16H,3,5-9,11,13H2,1H3,(H,25,31)(H2,26,27,32)
InChIKeyATBQTMJYMWKMPL-UHFFFAOYSA-N
MW446.50 g/mol
LogP1.65
Rot. Bonds5

About 2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 167877881) has the molecular formula C22H28F2N6O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID167877881
Molecular FormulaC22H28F2N6O2
Molecular Weight446.50 g/mol
Exact Mass446.22
IUPAC Name2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC(=O)NC2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1
InChIInChI=1S/C22H28F2N6O2/c1-25-21(31)13-29-8-6-15(7-9-29)26-22(32)27-16-3-5-20-28-19(12-30(20)11-16)17-4-2-14(23)10-18(17)24/h2,4,10,12,15-16H,3,5-9,11,13H2,1H3,(H,25,31)(H2,26,27,32)
InChIKeyATBQTMJYMWKMPL-UHFFFAOYSA-N
XLogP1.65
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide (CID 167877881) is 2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NC(=O)NC2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1.
What is the InChIKey of 2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is ATBQTMJYMWKMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N6O2/c1-25-21(31)13-29-8-6-15(7-9-29)26-22(32)27-16-3-5-20-28-19(12-30(20)11-16)17-4-2-14(23)10-18(17)24/h2,4,10,12,15-16H,3,5-9,11,13H2,1H3,(H,25,31)(H2,26,27,32).
What are the key properties of 2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 446.50 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 167877881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).