(6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H28N4O4 — CID 95062867

IUPAC(6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2Cc2ccccc2C)cc1
InChIInChI=1S/C28H28N4O4/c1-19-7-4-5-8-21(19)17-31-26(33)24-15-23(25-9-6-14-36-25)30-32(24)18-28(31,2)27(34)29-16-20-10-12-22(35-3)13-11-20/h4-15H,16-18H2,1-3H3,(H,29,34)/t28-/m1/s1
InChIKeyFLWWMCMQQIXKKC-MUUNZHRXSA-N
MW484.56 g/mol
LogP4.19
Rot. Bonds7

About (6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062867) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is (6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95062867
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name(6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2Cc2ccccc2C)cc1
InChIInChI=1S/C28H28N4O4/c1-19-7-4-5-8-21(19)17-31-26(33)24-15-23(25-9-6-14-36-25)30-32(24)18-28(31,2)27(34)29-16-20-10-12-22(35-3)13-11-20/h4-15H,16-18H2,1-3H3,(H,29,34)/t28-/m1/s1
InChIKeyFLWWMCMQQIXKKC-MUUNZHRXSA-N
XLogP4.19
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-2-(furan-2-yl)-6-methyl-N,5-bis[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063201
(6R)-5-benzyl-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063175
(6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063184
(6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063198
(6R)-N-benzyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739113
5-(3,5-dimethylphenyl)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049422
(6R)-2-(furan-2-yl)-5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062828
5-(4-ethylphenyl)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049415
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049424
5-(3-ethylphenyl)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049425
(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062943
(6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062539

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062867) is (6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2Cc2ccccc2C)cc1.
What is the InChIKey of (6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is FLWWMCMQQIXKKC-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-19-7-4-5-8-21(19)17-31-26(33)24-15-23(25-9-6-14-36-25)30-32(24)18-28(31,2)27(34)29-16-20-10-12-22(35-3)13-11-20/h4-15H,16-18H2,1-3H3,(H,29,34)/t28-/m1/s1.
What are the key properties of (6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).