N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

C21H24F3N7O4 — CID 171558555

IUPACN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CNC(=O)c3ccc4[nH]cnc4n3)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C16H20N4O4.C5H4F3N3/c1-16(2)23-11-5-6-22-12(13(11)24-16)7-17-15(21)10-4-3-9-14(20-10)19-8-18-9;6-5(7,8)3-1-10-2-4(9)11-3/h3-4,8,11-13H,5-7H2,1-2H3,(H,17,21)(H,18,19,20);1-2H,(H2,9,11)
InChIKeyVPUQNRDIVVXXHV-UHFFFAOYSA-N
MW495.46 g/mol
LogP2.07
Rot. Bonds3

About N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171558555) has the molecular formula C21H24F3N7O4 and a molecular weight of 495.46 g/mol. Its IUPAC name is N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171558555
Molecular FormulaC21H24F3N7O4
Molecular Weight495.46 g/mol
Exact Mass495.18
IUPAC NameN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CNC(=O)c3ccc4[nH]cnc4n3)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C16H20N4O4.C5H4F3N3/c1-16(2)23-11-5-6-22-12(13(11)24-16)7-17-15(21)10-4-3-9-14(20-10)19-8-18-9;6-5(7,8)3-1-10-2-4(9)11-3/h3-4,8,11-13H,5-7H2,1-2H3,(H,17,21)(H,18,19,20);1-2H,(H2,9,11)
InChIKeyVPUQNRDIVVXXHV-UHFFFAOYSA-N
XLogP2.07
TPSA150.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.46
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine with MolForge

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Related Compounds

3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-1-ium-2-ylethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58024068
3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-1-ium-2-ylethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 140545833
CID 160951221
CID 160951221
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 171556983
N-[[(2S,3S,4S,5S)-4-(2-hydroxypropan-2-yloxy)-3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 171557036
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide
CID 171557062
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]pyridazine-3-carboxamide
CID 171557170
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 171557588
N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557624
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557710
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]pyridine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557794
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]pyridine-2-carboxamide
CID 171557801

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171558555) is N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is CC1(C)OC2CCOC(CNC(=O)c3ccc4[nH]cnc4n3)C2O1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is VPUQNRDIVVXXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4.C5H4F3N3/c1-16(2)23-11-5-6-22-12(13(11)24-16)7-17-15(21)10-4-3-9-14(20-10)19-8-18-9;6-5(7,8)3-1-10-2-4(9)11-3/h3-4,8,11-13H,5-7H2,1-2H3,(H,17,21)(H,18,19,20);1-2H,(H2,9,11).
What are the key properties of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 495.46 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171558555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).