1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C21H25N5O2 — CID 134075648

IUPAC1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCn1ccnc1NC1COC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)C1
InChIInChI=1S/C21H25N5O2/c1-25-11-8-22-20(25)23-16-13-21(28-14-16)6-9-26(10-7-21)19(27)18-12-15-4-2-3-5-17(15)24-18/h2-5,8,11-12,16,24H,6-7,9-10,13-14H2,1H3,(H,22,23)
InChIKeyOZOONDXYHCKKJA-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.78
Rot. Bonds3

About 1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 134075648) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID134075648
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCn1ccnc1NC1COC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)C1
InChIInChI=1S/C21H25N5O2/c1-25-11-8-22-20(25)23-16-13-21(28-14-16)6-9-26(10-7-21)19(27)18-12-15-4-2-3-5-17(15)24-18/h2-5,8,11-12,16,24H,6-7,9-10,13-14H2,1H3,(H,22,23)
InChIKeyOZOONDXYHCKKJA-UHFFFAOYSA-N
XLogP2.78
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylindazol-3-yl)methanone
CID 131659460
N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide
CID 110474026
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488035
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone
CID 155950361
N-[1-[[(4S)-4-hydroxy-1-(1H-indole-2-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125008294

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 134075648) is 1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cn1ccnc1NC1COC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)C1.
What is the InChIKey of 1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is OZOONDXYHCKKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-25-11-8-22-20(25)23-16-13-21(28-14-16)6-9-26(10-7-21)19(27)18-12-15-4-2-3-5-17(15)24-18/h2-5,8,11-12,16,24H,6-7,9-10,13-14H2,1H3,(H,22,23).
What are the key properties of 1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 134075648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).