2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide

C78H61N15O8 — CID 159744684

IUPAC2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2cn3[nH]c(-c4ccc(Oc5ccccc5)cc4)c(C(N)=O)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]n23)c1.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]n2cc(-c3cccc(N)c3)nc12
InChIInChI=1S/2C27H21N5O3.C24H19N5O2/c1-2-23(33)29-19-8-6-7-18(15-19)22-16-32-27(30-22)24(26(28)34)25(31-32)17-11-13-21(14-12-17)35-20-9-4-3-5-10-20;1-2-23(33)30-19-8-6-7-18(15-19)22-16-29-27-24(26(28)34)25(31-32(22)27)17-11-13-21(14-12-17)35-20-9-4-3-5-10-20;25-17-6-4-5-16(13-17)20-14-29-24(27-20)21(23(26)30)22(28-29)15-9-11-19(12-10-15)31-18-7-2-1-3-8-18/h2-16,31H,1H2,(H2,28,34)(H,29,33);2-16,31H,1H2,(H2,28,34)(H,30,33);1-14,28H,25H2,(H2,26,30)
InChIKeyDHOJDMVYCKWHCC-UHFFFAOYSA-N
MW1336.44 g/mol
LogP14.49
Rot. Bonds19

About 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide

2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide (PubChem CID 159744684) has the molecular formula C78H61N15O8 and a molecular weight of 1336.44 g/mol. Its IUPAC name is 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide
PubChem CID159744684
Molecular FormulaC78H61N15O8
Molecular Weight1336.44 g/mol
Exact Mass1335.48
IUPAC Name2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2cn3[nH]c(-c4ccc(Oc5ccccc5)cc4)c(C(N)=O)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]n23)c1.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]n2cc(-c3cccc(N)c3)nc12
InChIInChI=1S/2C27H21N5O3.C24H19N5O2/c1-2-23(33)29-19-8-6-7-18(15-19)22-16-32-27(30-22)24(26(28)34)25(31-32)17-11-13-21(14-12-17)35-20-9-4-3-5-10-20;1-2-23(33)30-19-8-6-7-18(15-19)22-16-29-27-24(26(28)34)25(31-32(22)27)17-11-13-21(14-12-17)35-20-9-4-3-5-10-20;25-17-6-4-5-16(13-17)20-14-29-24(27-20)21(23(26)30)22(28-29)15-9-11-19(12-10-15)31-18-7-2-1-3-8-18/h2-16,31H,1H2,(H2,28,34)(H,29,33);2-16,31H,1H2,(H2,28,34)(H,30,33);1-14,28H,25H2,(H2,26,30)
InChIKeyDHOJDMVYCKWHCC-UHFFFAOYSA-N
XLogP14.49
TPSA340.45 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001336.44
LogP ≤ 514.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide with MolForge

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Related Compounds

6-(4-phenoxyphenyl)-3-(1-prop-2-enoylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117677006
2-(3-Acrylamidophenyl)-6-(4-phenoxyphenyl)-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117668201
6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117668270
6-(4-phenoxyphenyl)-2-(1-prop-2-enoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117676992
2-(4-phenoxyphenyl)-7-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 164628335
2-(4-phenoxyphenyl)-7-[4-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 164609209
2-(3-aminophenyl)-6-(4-phenoxyphenyl)-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117668099
2-(4-Phenoxyphenyl)-4H-pyrazolo[1',5':1,2]imidazo[4,5-c]pyridine-3-carboxamide
CID 117668256
3-(3-Aminophenyl)-6-(4-phenoxyphenyl)-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117668365
3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 164985706
2-(3-nitrophenyl)-6-(4-phenoxyphenyl)-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117668135
6-(4-phenoxyphenyl)-3-[(prop-2-enoylamino)methyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117677058

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide?
The IUPAC name of 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide (CID 159744684) is 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide.
What is the SMILES notation for 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide?
The canonical SMILES for 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide is C=CC(=O)Nc1cccc(-c2cn3[nH]c(-c4ccc(Oc5ccccc5)cc4)c(C(N)=O)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]n23)c1.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]n2cc(-c3cccc(N)c3)nc12.
What is the InChIKey of 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide?
The InChIKey is DHOJDMVYCKWHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21N5O3.C24H19N5O2/c1-2-23(33)29-19-8-6-7-18(15-19)22-16-32-27(30-22)24(26(28)34)25(31-32)17-11-13-21(14-12-17)35-20-9-4-3-5-10-20;1-2-23(33)30-19-8-6-7-18(15-19)22-16-29-27-24(26(28)34)25(31-32(22)27)17-11-13-21(14-12-17)35-20-9-4-3-5-10-20;25-17-6-4-5-16(13-17)20-14-29-24(27-20)21(23(26)30)22(28-29)15-9-11-19(12-10-15)31-18-7-2-1-3-8-18/h2-16,31H,1H2,(H2,28,34)(H,29,33);2-16,31H,1H2,(H2,28,34)(H,30,33);1-14,28H,25H2,(H2,26,30).
What are the key properties of 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide?
2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide has a molecular weight of 1336.44 g/mol, XLogP of 14.49, 19 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-6-(4-phenoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-2-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[3-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide is sourced from PubChem (CID 159744684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).