N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide

C16H18N6O2 — CID 70762490

IUPACN-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(Cn2ccnc2-c2cc3n(n2)CCNC3)o1
InChIInChI=1S/C16H18N6O2/c1-17-16(23)14-3-2-12(24-14)10-21-6-5-19-15(21)13-8-11-9-18-4-7-22(11)20-13/h2-3,5-6,8,18H,4,7,9-10H2,1H3,(H,17,23)
InChIKeyVQYXUWRNYSIROP-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.85
Rot. Bonds4

About N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide

N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide (PubChem CID 70762490) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide
PubChem CID70762490
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(Cn2ccnc2-c2cc3n(n2)CCNC3)o1
InChIInChI=1S/C16H18N6O2/c1-17-16(23)14-3-2-12(24-14)10-21-6-5-19-15(21)13-8-11-9-18-4-7-22(11)20-13/h2-3,5-6,8,18H,4,7,9-10H2,1H3,(H,17,23)
InChIKeyVQYXUWRNYSIROP-UHFFFAOYSA-N
XLogP0.85
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide
CID 56896868
3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 70708546
5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 70777947
4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride
CID 154894310
3-(methylsulfanylmethyl)-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 70712268
(2R)-1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95872865
1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 70744871
(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95889436
3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 70711129
2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70787072
2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70709789
(2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol
CID 95873065

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide (CID 70762490) is N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide is CNC(=O)c1ccc(Cn2ccnc2-c2cc3n(n2)CCNC3)o1.
What is the InChIKey of N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide?
The InChIKey is VQYXUWRNYSIROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-17-16(23)14-3-2-12(24-14)10-21-6-5-19-15(21)13-8-11-9-18-4-7-22(11)20-13/h2-3,5-6,8,18H,4,7,9-10H2,1H3,(H,17,23).
What are the key properties of N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide?
N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 70762490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).