2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C23H24FN5O3 — CID 118061275

IUPAC2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1ccc(CCNC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cc1
InChIInChI=1S/C23H24FN5O3/c1-32-18-7-5-15(6-8-18)9-10-26-23(31)28-11-12-29-19(14-28)20(22(25)30)21(27-29)16-3-2-4-17(24)13-16/h2-8,13H,9-12,14H2,1H3,(H2,25,30)(H,26,31)
InChIKeyNESBADQGOHFOHM-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.56
Rot. Bonds6

About 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061275) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061275
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1ccc(CCNC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cc1
InChIInChI=1S/C23H24FN5O3/c1-32-18-7-5-15(6-8-18)9-10-26-23(31)28-11-12-29-19(14-28)20(22(25)30)21(27-29)16-3-2-4-17(24)13-16/h2-8,13H,9-12,14H2,1H3,(H2,25,30)(H,26,31)
InChIKeyNESBADQGOHFOHM-UHFFFAOYSA-N
XLogP2.56
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-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

Related Compounds

Zanubrutinib
CID 135565884
((plusmn))-Zanubrutinib
CID 135905454
5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]pyrazole-4-carboxamide
CID 74222427
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 73774633
5-amino-1-[(3R)-1-[(E)-4,4-difluorobut-2-enoyl]piperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]pyrazole-4-carboxamide
CID 74222512
Btk inhibitor 2
CID 75204377
2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
2-(4-Phenoxyphenyl)-7-(1-prop-2-enoylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983688
7-[2-(Prop-2-enoylamino)phenyl]-2-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983721
7-(Acrylamidomethyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydro pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983767
(R)-Zanubrutinib
CID 137071299
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061275) is 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is COc1ccc(CCNC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is NESBADQGOHFOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-32-18-7-5-15(6-8-18)9-10-26-23(31)28-11-12-29-19(14-28)20(22(25)30)21(27-29)16-3-2-4-17(24)13-16/h2-8,13H,9-12,14H2,1H3,(H2,25,30)(H,26,31).
What are the key properties of 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).