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

C24H23F2N5O2 — CID 166949393

IUPAC2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESCN1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)nc23)CC1
InChIInChI=1S/C24H23F2N5O2/c1-30-10-8-14(9-11-30)18-13-28-31-22(23(27)32)21(29-24(18)31)15-2-5-17(6-3-15)33-20-7-4-16(25)12-19(20)26/h2-7,12-14,28H,8-11H2,1H3,(H2,27,32)
InChIKeyAPXLLXLBTQPOFJ-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.31
Rot. Bonds5

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

2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide (PubChem CID 166949393) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
PubChem CID166949393
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESCN1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)nc23)CC1
InChIInChI=1S/C24H23F2N5O2/c1-30-10-8-14(9-11-30)18-13-28-31-22(23(27)32)21(29-24(18)31)15-2-5-17(6-3-15)33-20-7-4-16(25)12-19(20)26/h2-7,12-14,28H,8-11H2,1H3,(H2,27,32)
InChIKeyAPXLLXLBTQPOFJ-UHFFFAOYSA-N
XLogP4.31
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide (CID 166949393) is 2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide is CN1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)nc23)CC1.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is APXLLXLBTQPOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-30-10-8-14(9-11-30)18-13-28-31-22(23(27)32)21(29-24(18)31)15-2-5-17(6-3-15)33-20-7-4-16(25)12-19(20)26/h2-7,12-14,28H,8-11H2,1H3,(H2,27,32).
What are the key properties of 2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 166949393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).