(6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C27H31N5O4 — CID 92744174

IUPAC(6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(C)C2=O
InChIInChI=1S/C27H31N5O4/c1-18-9-11-19(12-10-18)16-29-26(35)27(2)17-32-22(25(34)31(27)3)15-21(30-32)24(33)28-14-13-20-7-5-6-8-23(20)36-4/h5-12,15H,13-14,16-17H2,1-4H3,(H,28,33)(H,29,35)/t27-/m1/s1
InChIKeyJNEZWXWSMHJPJV-HHHXNRCGSA-N
MW489.58 g/mol
LogP2.33
Rot. Bonds8

About (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92744174) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92744174
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name(6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(C)C2=O
InChIInChI=1S/C27H31N5O4/c1-18-9-11-19(12-10-18)16-29-26(35)27(2)17-32-22(25(34)31(27)3)15-21(30-32)24(33)28-14-13-20-7-5-6-8-23(20)36-4/h5-12,15H,13-14,16-17H2,1-4H3,(H,28,33)(H,29,35)/t27-/m1/s1
InChIKeyJNEZWXWSMHJPJV-HHHXNRCGSA-N
XLogP2.33
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

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
6-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278898
(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
(6S)-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744127
(6S)-2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744141
2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279022
(6S)-2-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744055
(6S)-6-N-benzyl-2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743848
(6S)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92906062
(6S)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744066
5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758762

Frequently Asked Questions

What is the IUPAC name of (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92744174) is (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is COc1ccccc1CCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(C)C2=O.
What is the InChIKey of (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is JNEZWXWSMHJPJV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-18-9-11-19(12-10-18)16-29-26(35)27(2)17-32-22(25(34)31(27)3)15-21(30-32)24(33)28-14-13-20-7-5-6-8-23(20)36-4/h5-12,15H,13-14,16-17H2,1-4H3,(H,28,33)(H,29,35)/t27-/m1/s1.
What are the key properties of (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 489.58 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92744174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).