N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide

C19H19F3N6O2 — CID 59251910

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide
SMILESNc1ncc(-c2ccc3nc(NC(=O)CO[C@@H]4CCNC4)cn3c2)cc1C(F)(F)F
InChIInChI=1S/C19H19F3N6O2/c20-19(21,22)14-5-12(6-25-18(14)23)11-1-2-16-26-15(9-28(16)8-11)27-17(29)10-30-13-3-4-24-7-13/h1-2,5-6,8-9,13,24H,3-4,7,10H2,(H2,23,25)(H,27,29)/t13-/m1/s1
InChIKeyVUSUNKYFSJDLKG-CYBMUJFWSA-N
MW420.40 g/mol
LogP2.31
Rot. Bonds5

About N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide (PubChem CID 59251910) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide
PubChem CID59251910
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide
SMILESNc1ncc(-c2ccc3nc(NC(=O)CO[C@@H]4CCNC4)cn3c2)cc1C(F)(F)F
InChIInChI=1S/C19H19F3N6O2/c20-19(21,22)14-5-12(6-25-18(14)23)11-1-2-16-26-15(9-28(16)8-11)27-17(29)10-30-13-3-4-24-7-13/h1-2,5-6,8-9,13,24H,3-4,7,10H2,(H2,23,25)(H,27,29)/t13-/m1/s1
InChIKeyVUSUNKYFSJDLKG-CYBMUJFWSA-N
XLogP2.31
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide (CID 59251910) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide is Nc1ncc(-c2ccc3nc(NC(=O)CO[C@@H]4CCNC4)cn3c2)cc1C(F)(F)F.
What is the InChIKey of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide?
The InChIKey is VUSUNKYFSJDLKG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c20-19(21,22)14-5-12(6-25-18(14)23)11-1-2-16-26-15(9-28(16)8-11)27-17(29)10-30-13-3-4-24-7-13/h1-2,5-6,8-9,13,24H,3-4,7,10H2,(H2,23,25)(H,27,29)/t13-/m1/s1.
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide has a molecular weight of 420.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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]-2-[(3R)-pyrrolidin-3-yl]oxyacetamide is sourced from PubChem (CID 59251910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).