1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C25H33N5O2 — CID 97398774

IUPAC1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCc1ccc(N2CCN(CC(C)C)C3(CCN(C(=O)Cc4ccccn4)CC3)C2=O)cn1
InChIInChI=1S/C25H33N5O2/c1-19(2)18-29-14-15-30(22-8-7-20(3)27-17-22)24(32)25(29)9-12-28(13-10-25)23(31)16-21-6-4-5-11-26-21/h4-8,11,17,19H,9-10,12-16,18H2,1-3H3
InChIKeyFDCFRXOOYVNKFG-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.69
Rot. Bonds5

About 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97398774) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97398774
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCc1ccc(N2CCN(CC(C)C)C3(CCN(C(=O)Cc4ccccn4)CC3)C2=O)cn1
InChIInChI=1S/C25H33N5O2/c1-19(2)18-29-14-15-30(22-8-7-20(3)27-17-22)24(32)25(29)9-12-28(13-10-25)23(31)16-21-6-4-5-11-26-21/h4-8,11,17,19H,9-10,12-16,18H2,1-3H3
InChIKeyFDCFRXOOYVNKFG-UHFFFAOYSA-N
XLogP2.69
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one with MolForge

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Related Compounds

2-pyridin-3-yl-7-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 134078370
8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688476
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452786
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
8-(2-ethoxyacetyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166624209
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
3-(2-methylpropoxy)-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 56801224
3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145188
1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155824350

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97398774) is 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one is Cc1ccc(N2CCN(CC(C)C)C3(CCN(C(=O)Cc4ccccn4)CC3)C2=O)cn1.
What is the InChIKey of 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is FDCFRXOOYVNKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-19(2)18-29-14-15-30(22-8-7-20(3)27-17-22)24(32)25(29)9-12-28(13-10-25)23(31)16-21-6-4-5-11-26-21/h4-8,11,17,19H,9-10,12-16,18H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 435.57 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(6-methyl-3-pyridinyl)-9-(2-pyridin-2-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97398774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).