1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C23H32N4O2 — CID 97496038

IUPAC1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCc1ccc(N2CCN(CC3CC3)C3(CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)C2=O)cn1
InChIInChI=1S/C23H32N4O2/c1-16-13-20(16)21(28)25-9-7-23(8-10-25)22(29)27(19-6-3-17(2)24-14-19)12-11-26(23)15-18-4-5-18/h3,6,14,16,18,20H,4-5,7-13,15H2,1-2H3/t16-,20+/m0/s1
InChIKeyAGAWGTRAMUIXHQ-OXJNMPFZSA-N
MW396.54 g/mol
LogP2.47
Rot. Bonds4

About 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97496038) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97496038
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCc1ccc(N2CCN(CC3CC3)C3(CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)C2=O)cn1
InChIInChI=1S/C23H32N4O2/c1-16-13-20(16)21(28)25-9-7-23(8-10-25)22(29)27(19-6-3-17(2)24-14-19)12-11-26(23)15-18-4-5-18/h3,6,14,16,18,20H,4-5,7-13,15H2,1-2H3/t16-,20+/m0/s1
InChIKeyAGAWGTRAMUIXHQ-OXJNMPFZSA-N
XLogP2.47
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-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

1-(cyclopropylmethyl)-4-(6-methyl-3-pyridinyl)-9-(oxan-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one;formic acid
CID 171694571
1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398774
1-ethyl-4-(6-methyl-3-pyridinyl)-9-propylsulfonyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97496013
1-ethyl-4-(6-methyl-3-pyridinyl)-9-(thiophene-3-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 155843367
6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131640790
1-(cyclopropylmethyl)-4-methyl-9-(3-methylthiophene-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495934
9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131650241
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
1-methyl-3-(6-methyl-3-pyridinyl)imidazolidin-2-one
CID 170445532
tert-butyl 3-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 24902735
[4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 97044596

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97496038) is 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one is Cc1ccc(N2CCN(CC3CC3)C3(CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)C2=O)cn1.
What is the InChIKey of 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is AGAWGTRAMUIXHQ-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-13-20(16)21(28)25-9-7-23(8-10-25)22(29)27(19-6-3-17(2)24-14-19)12-11-26(23)15-18-4-5-18/h3,6,14,16,18,20H,4-5,7-13,15H2,1-2H3/t16-,20+/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 396.54 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-9-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-(6-methyl-3-pyridinyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97496038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).