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

C23H28FN5O3 — CID 92743417

IUPAC(6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O
InChIInChI=1S/C23H28FN5O3/c1-14-11-15(24)9-10-17(14)26-20(30)18-12-19-21(31)28(3)23(2,13-29(19)27-18)22(32)25-16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H,25,32)(H,26,30)/t23-/m1/s1
InChIKeyNHPPVSNZOLDNBO-HSZRJFAPSA-N
MW441.51 g/mol
LogP2.88
Rot. Bonds4

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

(6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92743417) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is (6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92743417
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name(6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O
InChIInChI=1S/C23H28FN5O3/c1-14-11-15(24)9-10-17(14)26-20(30)18-12-19-21(31)28(3)23(2,13-29(19)27-18)22(32)25-16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H,25,32)(H,26,30)/t23-/m1/s1
InChIKeyNHPPVSNZOLDNBO-HSZRJFAPSA-N
XLogP2.88
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-2-N-(2-chloro-4-methylphenyl)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743537
(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743317
6-N-cycloheptyl-2-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758545
(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743519
(6S)-5-butyl-2-N-(2-chloro-4-fluorophenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744554
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919434
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743571
(6S)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743572
6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758478
6-N-cyclohexyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758462
(6R)-6-N-cyclohexyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743457
(6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743381

Frequently Asked Questions

What is the IUPAC name of (6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92743417) is (6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is Cc1cc(F)ccc1NC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O.
What is the InChIKey of (6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is NHPPVSNZOLDNBO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-14-11-15(24)9-10-17(14)26-20(30)18-12-19-21(31)28(3)23(2,13-29(19)27-18)22(32)25-16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H,25,32)(H,26,30)/t23-/m1/s1.
What are the key properties of (6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92743417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).