(2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C24H29N5O — CID 131691846

IUPAC(2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCC2(CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C24H29N5O/c1-19-22(29-12-3-2-6-21(29)26-19)23(30)28-15-9-24(10-16-28)7-13-27(14-8-24)18-20-5-4-11-25-17-20/h2-6,11-12,17H,7-10,13-16,18H2,1H3
InChIKeyLNPLYKJLQPQRGI-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.56
Rot. Bonds3

About (2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

(2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 131691846) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Name(2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID131691846
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name(2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCC2(CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C24H29N5O/c1-19-22(29-12-3-2-6-21(29)26-19)23(30)28-15-9-24(10-16-28)7-13-27(14-8-24)18-20-5-4-11-25-17-20/h2-6,11-12,17H,7-10,13-16,18H2,1H3
InChIKeyLNPLYKJLQPQRGI-UHFFFAOYSA-N
XLogP3.56
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686812
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686523
(2-ethyl-1H-benzimidazol-4-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 173463601
1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
CID 97370728
[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 131696950
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347645
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828
[9-[(1-methylimidazol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-3-ylmethanone
CID 97450387
furan-3-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155849489
5-(4-tert-butylphenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 3398534

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 131691846) is (2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for (2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for (2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is Cc1nc2ccccn2c1C(=O)N1CCC2(CCN(Cc3cccnc3)CC2)CC1.
What is the InChIKey of (2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is LNPLYKJLQPQRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-19-22(29-12-3-2-6-21(29)26-19)23(30)28-15-9-24(10-16-28)7-13-27(14-8-24)18-20-5-4-11-25-17-20/h2-6,11-12,17H,7-10,13-16,18H2,1H3.
What are the key properties of (2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
(2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 403.53 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 131691846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).