N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane

C21H26F3N7O2 — CID 143527821

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane
SMILESCC.NC(=O)NCCCCC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C19H20F3N7O2.C2H6/c20-19(21,22)13-7-12(8-26-17(13)23)11-4-5-15-27-14(10-29(15)9-11)28-16(30)3-1-2-6-25-18(24)31;1-2/h4-5,7-10H,1-3,6H2,(H2,23,26)(H,28,30)(H3,24,25,31);1-2H3
InChIKeyDBKLFLWCNPAYDD-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.80
Rot. Bonds7

About N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane (PubChem CID 143527821) has the molecular formula C21H26F3N7O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane
PubChem CID143527821
Molecular FormulaC21H26F3N7O2
Molecular Weight465.48 g/mol
Exact Mass465.21
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane
SMILESCC.NC(=O)NCCCCC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C19H20F3N7O2.C2H6/c20-19(21,22)13-7-12(8-26-17(13)23)11-4-5-15-27-14(10-29(15)9-11)28-16(30)3-1-2-6-25-18(24)31;1-2/h4-5,7-10H,1-3,6H2,(H2,23,26)(H,28,30)(H3,24,25,31);1-2H3
InChIKeyDBKLFLWCNPAYDD-UHFFFAOYSA-N
XLogP3.80
TPSA140.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane (CID 143527821) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane is CC.NC(=O)NCCCCC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1.
What is the InChIKey of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane?
The InChIKey is DBKLFLWCNPAYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O2.C2H6/c20-19(21,22)13-7-12(8-26-17(13)23)11-4-5-15-27-14(10-29(15)9-11)28-16(30)3-1-2-6-25-18(24)31;1-2/h4-5,7-10H,1-3,6H2,(H2,23,26)(H,28,30)(H3,24,25,31);1-2H3.
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane has a molecular weight of 465.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane is sourced from PubChem (CID 143527821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).