2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C22H25N5O — CID 72703894

IUPAC2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C22H25N5O/c28-20-22(8-13-26(14-9-22)21-23-10-4-11-24-21)7-3-12-27(20)16-17-15-25-19-6-2-1-5-18(17)19/h1-2,4-6,10-11,15,25H,3,7-9,12-14,16H2
InChIKeyWNAFZMXHGYEVGT-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.37
Rot. Bonds3

About 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 72703894) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID72703894
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C22H25N5O/c28-20-22(8-13-26(14-9-22)21-23-10-4-11-24-21)7-3-12-27(20)16-17-15-25-19-6-2-1-5-18(17)19/h1-2,4-6,10-11,15,25H,3,7-9,12-14,16H2
InChIKeyWNAFZMXHGYEVGT-UHFFFAOYSA-N
XLogP3.37
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Quisinostat
CID 11538455
Sotrastaurin
CID 10296883
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
Zipalertinib
CID 117918742
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
Quisinostat Hydrochloride
CID 25067557
Indole Naphthyridinone
CID 5288607
4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
CID 16129582
3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
CID 24812717
Histidyltryptophyldiketopiperazine
CID 24066854
Indole naphthyridinone 30
CID 6539897
(2e)-N-[(1,2-Dimethyl-1h-Indol-3-Yl)methyl]-N-Methyl-3-(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-3-Yl)prop-2-Enamide
CID 6539898

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 72703894) is 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncccn1)CC2.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is WNAFZMXHGYEVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-20-22(8-13-26(14-9-22)21-23-10-4-11-24-21)7-3-12-27(20)16-17-15-25-19-6-2-1-5-18(17)19/h1-2,4-6,10-11,15,25H,3,7-9,12-14,16H2.
What are the key properties of 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 375.48 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 72703894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).