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

C23H22FN5O2 — CID 166949288

IUPAC2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)nc2c(C3CCNCC3)c[nH]n12
InChIInChI=1S/C23H22FN5O2/c24-16-3-7-18(8-4-16)31-17-5-1-15(2-6-17)20-21(22(25)30)29-23(28-20)19(13-27-29)14-9-11-26-12-10-14/h1-8,13-14,26-27H,9-12H2,(H2,25,30)
InChIKeyJRVYIPFCHIXINF-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.83
Rot. Bonds5

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

2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide (PubChem CID 166949288) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide
PubChem CID166949288
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)nc2c(C3CCNCC3)c[nH]n12
InChIInChI=1S/C23H22FN5O2/c24-16-3-7-18(8-4-16)31-17-5-1-15(2-6-17)20-21(22(25)30)29-23(28-20)19(13-27-29)14-9-11-26-12-10-14/h1-8,13-14,26-27H,9-12H2,(H2,25,30)
InChIKeyJRVYIPFCHIXINF-UHFFFAOYSA-N
XLogP3.83
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide (CID 166949288) is 2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide is NC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)nc2c(C3CCNCC3)c[nH]n12.
What is the InChIKey of 2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is JRVYIPFCHIXINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c24-16-3-7-18(8-4-16)31-17-5-1-15(2-6-17)20-21(22(25)30)29-23(28-20)19(13-27-29)14-9-11-26-12-10-14/h1-8,13-14,26-27H,9-12H2,(H2,25,30).
What are the key properties of 2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)phenyl]-7-piperidin-4-yl-5H-imidazo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 166949288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).