2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide

C26H25N5O3 — CID 175408078

IUPAC2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESCC#CN1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5OC)cc4)nc23)C1
InChIInChI=1S/C26H25N5O3/c1-3-13-30-14-12-18(16-30)20-15-28-31-24(25(27)32)23(29-26(20)31)17-8-10-19(11-9-17)34-22-7-5-4-6-21(22)33-2/h4-11,15,18,28H,12,14,16H2,1-2H3,(H2,27,32)
InChIKeySTPNIEZDVBEVFV-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.00
Rot. Bonds6

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

2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide (PubChem CID 175408078) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
PubChem CID175408078
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
SMILESCC#CN1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5OC)cc4)nc23)C1
InChIInChI=1S/C26H25N5O3/c1-3-13-30-14-12-18(16-30)20-15-28-31-24(25(27)32)23(29-26(20)31)17-8-10-19(11-9-17)34-22-7-5-4-6-21(22)33-2/h4-11,15,18,28H,12,14,16H2,1-2H3,(H2,27,32)
InChIKeySTPNIEZDVBEVFV-UHFFFAOYSA-N
XLogP4.00
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of 2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide (CID 175408078) is 2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for 2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide is CC#CN1CCC(c2c[nH]n3c(C(N)=O)c(-c4ccc(Oc5ccccc5OC)cc4)nc23)C1.
What is the InChIKey of 2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is STPNIEZDVBEVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-3-13-30-14-12-18(16-30)20-15-28-31-24(25(27)32)23(29-26(20)31)17-8-10-19(11-9-17)34-22-7-5-4-6-21(22)33-2/h4-11,15,18,28H,12,14,16H2,1-2H3,(H2,27,32).
What are the key properties of 2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide?
2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenoxy)phenyl]-7-(1-prop-1-ynylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 175408078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).