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

C16H20N4O4 — CID 171557711

IUPACN-[(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
SMILESCC1(C)OC2CCOC(CNC(=O)c3cnc4cc[nH]c4n3)C2O1
InChIInChI=1S/C16H20N4O4/c1-16(2)23-11-4-6-22-12(13(11)24-16)8-19-15(21)10-7-18-9-3-5-17-14(9)20-10/h3,5,7,11-13H,4,6,8H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyHSNIFYYSZCTVFC-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.00
Rot. Bonds3

About 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

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 (PubChem CID 171557711) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 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]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(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
PubChem CID171557711
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-[(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
SMILESCC1(C)OC2CCOC(CNC(=O)c3cnc4cc[nH]c4n3)C2O1
InChIInChI=1S/C16H20N4O4/c1-16(2)23-11-4-6-22-12(13(11)24-16)8-19-15(21)10-7-18-9-3-5-17-14(9)20-10/h3,5,7,11-13H,4,6,8H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyHSNIFYYSZCTVFC-UHFFFAOYSA-N
XLogP1.00
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide
CID 171556801
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557069
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]-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 171557347
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-[[(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]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide
CID 171557856
N-[[(3aR,4R,7R,7aS)-7-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 156000969
N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
CID 166294980
methyl 5-[(5H-pyrrolo[2,3-b]pyrazine-2-carbonylamino)methyl]oxolane-3-carboxylate
CID 166379028
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
CID 166381470
N-[(3S,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
CID 166381474
N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
CID 166381885
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide
CID 171557070

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]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide?
The IUPAC name of 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 (CID 171557711) is 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.
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]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide?
The canonical SMILES for 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 is CC1(C)OC2CCOC(CNC(=O)c3cnc4cc[nH]c4n3)C2O1.
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]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide?
The InChIKey is HSNIFYYSZCTVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-16(2)23-11-4-6-22-12(13(11)24-16)8-19-15(21)10-7-18-9-3-5-17-14(9)20-10/h3,5,7,11-13H,4,6,8H2,1-2H3,(H,17,20)(H,19,21).
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]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide?
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 has a molecular weight of 332.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide is sourced from PubChem (CID 171557711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).