3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane

C19H27N5O — CID 97399470

IUPAC3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESCn1cncc1CN1CCC2(CC1)COCCN(c1cccnc1)C2
InChIInChI=1S/C19H27N5O/c1-22-16-21-12-18(22)13-23-7-4-19(5-8-23)14-24(9-10-25-15-19)17-3-2-6-20-11-17/h2-3,6,11-12,16H,4-5,7-10,13-15H2,1H3
InChIKeyMWBGHHBUJPGBTL-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.93
Rot. Bonds3

About 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane

3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane (PubChem CID 97399470) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
PubChem CID97399470
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESCn1cncc1CN1CCC2(CC1)COCCN(c1cccnc1)C2
InChIInChI=1S/C19H27N5O/c1-22-16-21-12-18(22)13-23-7-4-19(5-8-23)14-24(9-10-25-15-19)17-3-2-6-20-11-17/h2-3,6,11-12,16H,4-5,7-10,13-15H2,1H3
InChIKeyMWBGHHBUJPGBTL-UHFFFAOYSA-N
XLogP1.93
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

(6S)-4-[(3-methylimidazol-4-yl)methyl]-8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492020
3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 134077551
(6R)-11-pyridin-3-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372839
3,3-dimethyl-9-[(3-methylimidazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecane
CID 155996912
(3S)-8-[(3-methylimidazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124960859
(6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373124
cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072825
(6S)-4-[(3-methylimidazol-4-yl)methyl]-6-(pyridin-3-ylmethyl)-1,4-oxazepane
CID 124953603
4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134072944
(6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373115
9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
CID 139003598
3,3-dimethyl-8-[(3-methylimidazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 155990506

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The IUPAC name of 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane (CID 97399470) is 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane is Cn1cncc1CN1CCC2(CC1)COCCN(c1cccnc1)C2.
What is the InChIKey of 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The InChIKey is MWBGHHBUJPGBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-22-16-21-12-18(22)13-23-7-4-19(5-8-23)14-24(9-10-25-15-19)17-3-2-6-20-11-17/h2-3,6,11-12,16H,4-5,7-10,13-15H2,1H3.
What are the key properties of 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane has a molecular weight of 341.46 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97399470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).