(3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one

C20H19N5O2 — CID 95719344

IUPAC(3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCc1nc2ncccn2c1C(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H19N5O2/c1-13-16(25-11-5-9-21-19(25)22-13)17(26)24-10-4-8-20(12-24)14-6-2-3-7-15(14)23-18(20)27/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyFKLIPOXYRGVYRN-HXUWFJFHSA-N
MW361.41 g/mol
LogP2.16
Rot. Bonds1

About (3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one

(3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 95719344) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID95719344
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name(3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCc1nc2ncccn2c1C(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H19N5O2/c1-13-16(25-11-5-9-21-19(25)22-13)17(26)24-10-4-8-20(12-24)14-6-2-3-7-15(14)23-18(20)27/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyFKLIPOXYRGVYRN-HXUWFJFHSA-N
XLogP2.16
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of (3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 95719344) is (3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one is Cc1nc2ncccn2c1C(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is FKLIPOXYRGVYRN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-16(25-11-5-9-21-19(25)22-13)17(26)24-10-4-8-20(12-24)14-6-2-3-7-15(14)23-18(20)27/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,23,27)/t20-/m1/s1.
What are the key properties of (3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one?
(3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 361.41 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95719344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).