1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one

C29H26N4O3 — CID 44526767

IUPAC1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(-n2ncc(C(=O)N3CCC4(C3)C(=O)N(c3ccccc3)c3ccccc34)c2C)cc1
InChIInChI=1S/C29H26N4O3/c1-20-24(18-30-33(20)22-12-14-23(36-2)15-13-22)27(34)31-17-16-29(19-31)25-10-6-7-11-26(25)32(28(29)35)21-8-4-3-5-9-21/h3-15,18H,16-17,19H2,1-2H3
InChIKeyBDCQPBUEUINRJD-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.65
Rot. Bonds4

About 1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one

1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 44526767) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID44526767
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(-n2ncc(C(=O)N3CCC4(C3)C(=O)N(c3ccccc3)c3ccccc34)c2C)cc1
InChIInChI=1S/C29H26N4O3/c1-20-24(18-30-33(20)22-12-14-23(36-2)15-13-22)27(34)31-17-16-29(19-31)25-10-6-7-11-26(25)32(28(29)35)21-8-4-3-5-9-21/h3-15,18H,16-17,19H2,1-2H3
InChIKeyBDCQPBUEUINRJD-UHFFFAOYSA-N
XLogP4.65
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3465979
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CID 7947603
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CID 24791125
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CID 25162147
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CID 44402216
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CID 70692158
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CID 135405767
CID 135405767

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one (CID 44526767) is 1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one is COc1ccc(-n2ncc(C(=O)N3CCC4(C3)C(=O)N(c3ccccc3)c3ccccc34)c2C)cc1.
What is the InChIKey of 1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is BDCQPBUEUINRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-20-24(18-30-33(20)22-12-14-23(36-2)15-13-22)27(34)31-17-16-29(19-31)25-10-6-7-11-26(25)32(28(29)35)21-8-4-3-5-9-21/h3-15,18H,16-17,19H2,1-2H3.
What are the key properties of 1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 478.55 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 44526767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).