(2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C25H24N4O3 — CID 166623275

IUPAC(2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1ncc(C(=O)N2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2CCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C25H24N4O3/c1-16-26-15-18(22(30)27-16)23(31)29-14-13-25(19-9-5-6-10-20(19)28-24(25)32)21(29)12-11-17-7-3-2-4-8-17/h2-10,15,21H,11-14H2,1H3,(H,28,32)(H,26,27,30)/t21-,25-/m0/s1
InChIKeyDTBQPRBLRXJNST-OFVILXPXSA-N
MW428.49 g/mol
LogP2.82
Rot. Bonds4

About (2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166623275) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is (2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166623275
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name(2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1ncc(C(=O)N2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2CCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C25H24N4O3/c1-16-26-15-18(22(30)27-16)23(31)29-14-13-25(19-9-5-6-10-20(19)28-24(25)32)21(29)12-11-17-7-3-2-4-8-17/h2-10,15,21H,11-14H2,1H3,(H,28,32)(H,26,27,30)/t21-,25-/m0/s1
InChIKeyDTBQPRBLRXJNST-OFVILXPXSA-N
XLogP2.82
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166623275) is (2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cc1ncc(C(=O)N2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2CCc2ccccc2)c(=O)[nH]1.
What is the InChIKey of (2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is DTBQPRBLRXJNST-OFVILXPXSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-26-15-18(22(30)27-16)23(31)29-14-13-25(19-9-5-6-10-20(19)28-24(25)32)21(29)12-11-17-7-3-2-4-8-17/h2-10,15,21H,11-14H2,1H3,(H,28,32)(H,26,27,30)/t21-,25-/m0/s1.
What are the key properties of (2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 428.49 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166623275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).