[9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone

C20H27N5O — CID 97450392

IUPAC[9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone
SMILESCn1cccc1CN1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C20H27N5O/c1-23-10-2-3-17(23)16-24-11-4-20(5-12-24)6-13-25(14-7-20)19(26)18-15-21-8-9-22-18/h2-3,8-10,15H,4-7,11-14,16H2,1H3
InChIKeyZKIMBOZAOAPNPB-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.33
Rot. Bonds3

About [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone

[9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone (PubChem CID 97450392) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone
PubChem CID97450392
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone
SMILESCn1cccc1CN1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C20H27N5O/c1-23-10-2-3-17(23)16-24-11-4-20(5-12-24)6-13-25(14-7-20)19(26)18-15-21-8-9-22-18/h2-3,8-10,15H,4-7,11-14,16H2,1H3
InChIKeyZKIMBOZAOAPNPB-UHFFFAOYSA-N
XLogP2.33
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone 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

[8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97449478
[2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-pyrazin-2-ylmethanone
CID 3233419
[2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97370069
[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97385388
[9-[(1-methylimidazol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-3-ylmethanone
CID 97450387
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
pyrazin-2-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451301
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 90560710
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
(1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686812
1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412790
N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 129360850

Frequently Asked Questions

What is the IUPAC name of [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone (CID 97450392) is [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone is Cn1cccc1CN1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2.
What is the InChIKey of [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone?
The InChIKey is ZKIMBOZAOAPNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-23-10-2-3-17(23)16-24-11-4-20(5-12-24)6-13-25(14-7-20)19(26)18-15-21-8-9-22-18/h2-3,8-10,15H,4-7,11-14,16H2,1H3.
What are the key properties of [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone?
[9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone has a molecular weight of 353.47 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97450392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).