(6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C25H31FN4O2 — CID 92738834

IUPAC(6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESC[C@]1(C(=O)NC2CCCCCC2)Cn2nc(C3CC3)cc2C(=O)N1Cc1ccccc1F
InChIInChI=1S/C25H31FN4O2/c1-25(24(32)27-19-9-4-2-3-5-10-19)16-30-22(14-21(28-30)17-12-13-17)23(31)29(25)15-18-8-6-7-11-20(18)26/h6-8,11,14,17,19H,2-5,9-10,12-13,15-16H2,1H3,(H,27,32)/t25-/m1/s1
InChIKeyPBSRGFRVSVZGBY-RUZDIDTESA-N
MW438.55 g/mol
LogP4.15
Rot. Bonds5

About (6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738834) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is (6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92738834
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name(6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESC[C@]1(C(=O)NC2CCCCCC2)Cn2nc(C3CC3)cc2C(=O)N1Cc1ccccc1F
InChIInChI=1S/C25H31FN4O2/c1-25(24(32)27-19-9-4-2-3-5-10-19)16-30-22(14-21(28-30)17-12-13-17)23(31)29(25)15-18-8-6-7-11-20(18)26/h6-8,11,14,17,19H,2-5,9-10,12-13,15-16H2,1H3,(H,27,32)/t25-/m1/s1
InChIKeyPBSRGFRVSVZGBY-RUZDIDTESA-N
XLogP4.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738805
5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522348
(6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062748
N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272624
ethyl (6S)-6-(cyclopentylcarbamoyl)-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 71220160
5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272634
N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522328
ethyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279232
N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514690
N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 53033718
(11R)-N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92501297
(11S)-N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92501296

Frequently Asked Questions

What is the IUPAC name of (6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738834) is (6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is C[C@]1(C(=O)NC2CCCCCC2)Cn2nc(C3CC3)cc2C(=O)N1Cc1ccccc1F.
What is the InChIKey of (6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is PBSRGFRVSVZGBY-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-25(24(32)27-19-9-4-2-3-5-10-19)16-30-22(14-21(28-30)17-12-13-17)23(31)29(25)15-18-8-6-7-11-20(18)26/h6-8,11,14,17,19H,2-5,9-10,12-13,15-16H2,1H3,(H,27,32)/t25-/m1/s1.
What are the key properties of (6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).