[(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone

C20H29N5O2 — CID 164639536

IUPAC[(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCCC2(CCN(C(=O)c3ccncn3)CC2)[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C20H29N5O2/c1-23-10-4-6-20(17(23)19(27)24-11-2-3-12-24)7-13-25(14-8-20)18(26)16-5-9-21-15-22-16/h5,9,15,17H,2-4,6-8,10-14H2,1H3/t17-/m1/s1
InChIKeyFOPZVLRLPJGTRG-QGZVFWFLSA-N
MW371.49 g/mol
LogP1.42
Rot. Bonds2

About [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone

[(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 164639536) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID164639536
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name[(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCCC2(CCN(C(=O)c3ccncn3)CC2)[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C20H29N5O2/c1-23-10-4-6-20(17(23)19(27)24-11-2-3-12-24)7-13-25(14-8-20)18(26)16-5-9-21-15-22-16/h5,9,15,17H,2-4,6-8,10-14H2,1H3/t17-/m1/s1
InChIKeyFOPZVLRLPJGTRG-QGZVFWFLSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone (CID 164639536) is [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone is CN1CCCC2(CCN(C(=O)c3ccncn3)CC2)[C@H]1C(=O)N1CCCC1.
What is the InChIKey of [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FOPZVLRLPJGTRG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-23-10-4-6-20(17(23)19(27)24-11-2-3-12-24)7-13-25(14-8-20)18(26)16-5-9-21-15-22-16/h5,9,15,17H,2-4,6-8,10-14H2,1H3/t17-/m1/s1.
What are the key properties of [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone?
[(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.49 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 164639536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).