7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide

C27H25F2N5O2 — CID 175408014

IUPAC7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESCC#CCN1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)nc23)CC1
InChIInChI=1S/C27H25F2N5O2/c1-2-3-12-33-13-10-17(11-14-33)21-16-31-34-25(26(30)35)24(32-27(21)34)18-4-7-20(8-5-18)36-23-9-6-19(28)15-22(23)29/h4-9,15-17,31H,10-14H2,1H3,(H2,30,35)
InChIKeyILLUXHZMSXEHQD-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.70
Rot. Bonds6

About 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide

7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide (PubChem CID 175408014) has the molecular formula C27H25F2N5O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound Name7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
PubChem CID175408014
Molecular FormulaC27H25F2N5O2
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESCC#CCN1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)nc23)CC1
InChIInChI=1S/C27H25F2N5O2/c1-2-3-12-33-13-10-17(11-14-33)21-16-31-34-25(26(30)35)24(32-27(21)34)18-4-7-20(8-5-18)36-23-9-6-19(28)15-22(23)29/h4-9,15-17,31H,10-14H2,1H3,(H2,30,35)
InChIKeyILLUXHZMSXEHQD-UHFFFAOYSA-N
XLogP4.70
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide 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 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide (CID 175408014) is 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide is CC#CCN1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)nc23)CC1.
What is the InChIKey of 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is ILLUXHZMSXEHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O2/c1-2-3-12-33-13-10-17(11-14-33)21-16-31-34-25(26(30)35)24(32-27(21)34)18-4-7-20(8-5-18)36-23-9-6-19(28)15-22(23)29/h4-9,15-17,31H,10-14H2,1H3,(H2,30,35).
What are the key properties of 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-but-2-ynylpiperidin-4-yl)-2-[4-(2,4-difluorophenoxy)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 175408014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).