(6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H31N5O — CID 97136768

IUPAC(6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@@]2(CCC1=O)CN(Cc1c(C)nc3ccccn13)CCN2C
InChIInChI=1S/C21H31N5O/c1-4-25-12-10-21(9-8-20(25)27)16-24(14-13-23(21)3)15-18-17(2)22-19-7-5-6-11-26(18)19/h5-7,11H,4,8-10,12-16H2,1-3H3/t21-/m0/s1
InChIKeyIKLGNKZSFPRDHP-NRFANRHFSA-N
MW369.51 g/mol
LogP2.16
Rot. Bonds3

About (6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97136768) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is (6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97136768
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name(6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@@]2(CCC1=O)CN(Cc1c(C)nc3ccccn13)CCN2C
InChIInChI=1S/C21H31N5O/c1-4-25-12-10-21(9-8-20(25)27)16-24(14-13-23(21)3)15-18-17(2)22-19-7-5-6-11-26(18)19/h5-7,11H,4,8-10,12-16H2,1-3H3/t21-/m0/s1
InChIKeyIKLGNKZSFPRDHP-NRFANRHFSA-N
XLogP2.16
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97136768) is (6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CCN1CC[C@@]2(CCC1=O)CN(Cc1c(C)nc3ccccn13)CCN2C.
What is the InChIKey of (6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is IKLGNKZSFPRDHP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H31N5O/c1-4-25-12-10-21(9-8-20(25)27)16-24(14-13-23(21)3)15-18-17(2)22-19-7-5-6-11-26(18)19/h5-7,11H,4,8-10,12-16H2,1-3H3/t21-/m0/s1.
What are the key properties of (6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 369.51 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97136768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).