N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide

C20H19F3N4O3 — CID 146501252

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2ccc(C(F)(F)F)nc2)cn2ccnc12
InChIInChI=1S/C20H19F3N4O3/c21-20(22,23)17-2-1-12(9-25-17)7-13-8-14(18-24-4-5-27(18)10-13)19(29)26-15-3-6-30-11-16(15)28/h1-2,4-5,8-10,15-16,28H,3,6-7,11H2,(H,26,29)/t15-,16-/m0/s1
InChIKeyOHYYZAOZRLCXFM-HOTGVXAUSA-N
MW420.39 g/mol
LogP2.22
Rot. Bonds4

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 146501252) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID146501252
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2ccc(C(F)(F)F)nc2)cn2ccnc12
InChIInChI=1S/C20H19F3N4O3/c21-20(22,23)17-2-1-12(9-25-17)7-13-8-14(18-24-4-5-27(18)10-13)19(29)26-15-3-6-30-11-16(15)28/h1-2,4-5,8-10,15-16,28H,3,6-7,11H2,(H,26,29)/t15-,16-/m0/s1
InChIKeyOHYYZAOZRLCXFM-HOTGVXAUSA-N
XLogP2.22
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 146501252) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide is O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2ccc(C(F)(F)F)nc2)cn2ccnc12.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is OHYYZAOZRLCXFM-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c21-20(22,23)17-2-1-12(9-25-17)7-13-8-14(18-24-4-5-27(18)10-13)19(29)26-15-3-6-30-11-16(15)28/h1-2,4-5,8-10,15-16,28H,3,6-7,11H2,(H,26,29)/t15-,16-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 146501252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).