2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C20H27F2N5O2 — CID 163449521

IUPAC2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)[C@H](C)NC(=O)N1Cc2c(C(N)=O)c(C3C=CC=C(F)C3)nn2C(CF)C1
InChIInChI=1S/C20H27F2N5O2/c1-11(2)12(3)24-20(29)26-9-15(8-21)27-16(10-26)17(19(23)28)18(25-27)13-5-4-6-14(22)7-13/h4-6,11-13,15H,7-10H2,1-3H3,(H2,23,28)(H,24,29)/t12-,13?,15?/m0/s1
InChIKeyBFKOPRNGKJJJTH-OPFPJEHXSA-N
MW407.47 g/mol
LogP2.96
Rot. Bonds5

About 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 163449521) has the molecular formula C20H27F2N5O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID163449521
Molecular FormulaC20H27F2N5O2
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Name2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)[C@H](C)NC(=O)N1Cc2c(C(N)=O)c(C3C=CC=C(F)C3)nn2C(CF)C1
InChIInChI=1S/C20H27F2N5O2/c1-11(2)12(3)24-20(29)26-9-15(8-21)27-16(10-26)17(19(23)28)18(25-27)13-5-4-6-14(22)7-13/h4-6,11-13,15H,7-10H2,1-3H3,(H2,23,28)(H,24,29)/t12-,13?,15?/m0/s1
InChIKeyBFKOPRNGKJJJTH-OPFPJEHXSA-N
XLogP2.96
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 163449521) is 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)[C@H](C)NC(=O)N1Cc2c(C(N)=O)c(C3C=CC=C(F)C3)nn2C(CF)C1.
What is the InChIKey of 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is BFKOPRNGKJJJTH-OPFPJEHXSA-N. The full InChI is InChI=1S/C20H27F2N5O2/c1-11(2)12(3)24-20(29)26-9-15(8-21)27-16(10-26)17(19(23)28)18(25-27)13-5-4-6-14(22)7-13/h4-6,11-13,15H,7-10H2,1-3H3,(H2,23,28)(H,24,29)/t12-,13?,15?/m0/s1.
What are the key properties of 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 163449521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).