N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide

C20H21F3N6O2 — CID 68528559

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCCN1C(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C20H21F3N6O2/c1-31-11-14-3-2-6-29(14)19(30)27-16-10-28-9-12(4-5-17(28)26-16)13-7-15(20(21,22)23)18(24)25-8-13/h4-5,7-10,14H,2-3,6,11H2,1H3,(H2,24,25)(H,27,30)
InChIKeyXMRDFSDFIQKRJN-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.64
Rot. Bonds4

About N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 68528559) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID68528559
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCCN1C(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C20H21F3N6O2/c1-31-11-14-3-2-6-29(14)19(30)27-16-10-28-9-12(4-5-17(28)26-16)13-7-15(20(21,22)23)18(24)25-8-13/h4-5,7-10,14H,2-3,6,11H2,1H3,(H2,24,25)(H,27,30)
InChIKeyXMRDFSDFIQKRJN-UHFFFAOYSA-N
XLogP3.64
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide (CID 68528559) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide is COCC1CCCN1C(=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]-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is XMRDFSDFIQKRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-31-11-14-3-2-6-29(14)19(30)27-16-10-28-9-12(4-5-17(28)26-16)13-7-15(20(21,22)23)18(24)25-8-13/h4-5,7-10,14H,2-3,6,11H2,1H3,(H2,24,25)(H,27,30).
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 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]-2-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 68528559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).