(6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C21H29N5O4 — CID 92723239

IUPAC(6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCCc3ccco3)cc2C(=O)N1C
InChIInChI=1S/C21H29N5O4/c1-14(2)7-9-23-20(29)21(3)13-26-17(19(28)25(21)4)12-16(24-26)18(27)22-10-8-15-6-5-11-30-15/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,22,27)(H,23,29)/t21-/m0/s1
InChIKeyFXPWGRRBKNJWPW-NRFANRHFSA-N
MW415.49 g/mol
LogP1.46
Rot. Bonds8

About (6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92723239) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is (6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92723239
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name(6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCCc3ccco3)cc2C(=O)N1C
InChIInChI=1S/C21H29N5O4/c1-14(2)7-9-23-20(29)21(3)13-26-17(19(28)25(21)4)12-16(24-26)18(27)22-10-8-15-6-5-11-30-15/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,22,27)(H,23,29)/t21-/m0/s1
InChIKeyFXPWGRRBKNJWPW-NRFANRHFSA-N
XLogP1.46
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-6-N-(3-methylbutyl)-2-N-[2-(4-methylsulfanylphenyl)ethyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278871
5,6-dimethyl-6-N-(3-methylbutyl)-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278872
2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278849
(6R)-2-N-[(2-bromophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743687
5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278827
(6S)-5,6-dimethyl-N-(3-methylbutyl)-4-oxo-2-(pyrrolidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743722
(6S)-5,6-dimethyl-6-N-(3-methylbutyl)-2-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743740
(6R)-6-N-[(4-fluorophenyl)methyl]-2-N-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743928
(6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 93302951
(6R)-6-N-benzyl-5,6-dimethyl-2-N-[2-(2-methylphenyl)ethyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743896
(6S)-6-N-benzyl-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743768
6-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278935

Frequently Asked Questions

What is the IUPAC name of (6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92723239) is (6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCCc3ccco3)cc2C(=O)N1C.
What is the InChIKey of (6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is FXPWGRRBKNJWPW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-14(2)7-9-23-20(29)21(3)13-26-17(19(28)25(21)4)12-16(24-26)18(27)22-10-8-15-6-5-11-30-15/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,22,27)(H,23,29)/t21-/m0/s1.
What are the key properties of (6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 415.49 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-N-[2-(furan-2-yl)ethyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92723239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).