7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide

C28H29N5O3 — CID 166949214

IUPAC7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESC=CC(C)C(=O)N1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nc23)CC1
InChIInChI=1S/C28H29N5O3/c1-3-18(2)28(35)32-15-13-19(14-16-32)23-17-30-33-25(26(29)34)24(31-27(23)33)20-9-11-22(12-10-20)36-21-7-5-4-6-8-21/h3-12,17-19,30H,1,13-16H2,2H3,(H2,29,34)
InChIKeyINDMXPDOJGHKGI-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.75
Rot. Bonds7

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

7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide (PubChem CID 166949214) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound Name7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
PubChem CID166949214
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESC=CC(C)C(=O)N1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nc23)CC1
InChIInChI=1S/C28H29N5O3/c1-3-18(2)28(35)32-15-13-19(14-16-32)23-17-30-33-25(26(29)34)24(31-27(23)33)20-9-11-22(12-10-20)36-21-7-5-4-6-8-21/h3-12,17-19,30H,1,13-16H2,2H3,(H2,29,34)
InChIKeyINDMXPDOJGHKGI-UHFFFAOYSA-N
XLogP4.75
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenoxyphenyl)-7-(1-prop-2-ynoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 164628847
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-methylphenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate
CID 166949274
tert-butyl 3-[3-carbamoyl-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]azetidine-1-carboxylate
CID 166949378
2-[4-(4-methylphenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 166949371
tert-butyl 4-[3-carbamoyl-2-[4-(4-chlorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazol-7-yl]piperidine-1-carboxylate
CID 166949249
2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 166949288
7-(1-but-2-ynoylpyrrolidin-3-yl)-2-[4-(4-fluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 164626111
2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 175408078
8-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 141475930
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

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of 7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide (CID 166949214) is 7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for 7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for 7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide is C=CC(C)C(=O)N1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nc23)CC1.
What is the InChIKey of 7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is INDMXPDOJGHKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-3-18(2)28(35)32-15-13-19(14-16-32)23-17-30-33-25(26(29)34)24(31-27(23)33)20-9-11-22(12-10-20)36-21-7-5-4-6-8-21/h3-12,17-19,30H,1,13-16H2,2H3,(H2,29,34).
What are the key properties of 7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-methylbut-3-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 166949214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).