2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide

C25H21N5O3 — CID 164628847

IUPAC2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESC#CC(=O)N1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nc23)C1
InChIInChI=1S/C25H21N5O3/c1-2-21(31)29-13-12-17(15-29)20-14-27-30-23(24(26)32)22(28-25(20)30)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h1,3-11,14,17,27H,12-13,15H2,(H2,26,32)
InChIKeyHPWQVMKCYADVLJ-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide

2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide (PubChem CID 164628847) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
PubChem CID164628847
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESC#CC(=O)N1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nc23)C1
InChIInChI=1S/C25H21N5O3/c1-2-21(31)29-13-12-17(15-29)20-14-27-30-23(24(26)32)22(28-25(20)30)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h1,3-11,14,17,27H,12-13,15H2,(H2,26,32)
InChIKeyHPWQVMKCYADVLJ-UHFFFAOYSA-N
XLogP3.17
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7-(1-but-2-ynoylpyrrolidin-3-yl)-2-[4-(4-fluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 164626111
tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate
CID 166949378
7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 166949214
2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 175408078
tert-butyl 4-[3-carbamoyl-2-[4-(4-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate
CID 166949274
2-[4-(4-methylphenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 166949371
2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 166949288
2-[4-(4-fluorophenoxy)phenyl]-7-[1-[(E)-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 166949394
tert-butyl 4-[3-carbamoyl-2-[4-(4-chlorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate
CID 166949249
7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 175408014
5-carbamoyl-4-(4-phenoxyphenyl)-3,6,7,12-tetrazatricyclo[6.5.0.02,6]trideca-1(8),2,4-triene-12-carboxylic acid
CID 175408073
8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 141475930

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of 2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide (CID 164628847) is 2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for 2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide is C#CC(=O)N1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nc23)C1.
What is the InChIKey of 2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is HPWQVMKCYADVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-2-21(31)29-13-12-17(15-29)20-14-27-30-23(24(26)32)22(28-25(20)30)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h1,3-11,14,17,27H,12-13,15H2,(H2,26,32).
What are the key properties of 2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 164628847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).