methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate

C22H29ClN4O4 — CID 24817175

IUPACmethyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn23)CC1
InChIInChI=1S/C22H29ClN4O4/c1-14-10-26(11-15(2)31-14)21(28)20-18(27-12-17(23)4-5-19(27)24-20)13-25-8-6-16(7-9-25)22(29)30-3/h4-5,12,14-16H,6-11,13H2,1-3H3/t14-,15+
InChIKeyUJXZYJKULYVDQP-GASCZTMLSA-N
MW448.95 g/mol
LogP2.62
Rot. Bonds4

About methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate

methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate (PubChem CID 24817175) has the molecular formula C22H29ClN4O4 and a molecular weight of 448.95 g/mol. Its IUPAC name is methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
PubChem CID24817175
Molecular FormulaC22H29ClN4O4
Molecular Weight448.95 g/mol
Exact Mass448.19
IUPAC Namemethyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn23)CC1
InChIInChI=1S/C22H29ClN4O4/c1-14-10-26(11-15(2)31-14)21(28)20-18(27-12-17(23)4-5-19(27)24-20)13-25-8-6-16(7-9-25)22(29)30-3/h4-5,12,14-16H,6-11,13H2,1-3H3/t14-,15+
InChIKeyUJXZYJKULYVDQP-GASCZTMLSA-N
XLogP2.62
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate (CID 24817175) is methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn23)CC1.
What is the InChIKey of methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The InChIKey is UJXZYJKULYVDQP-GASCZTMLSA-N. The full InChI is InChI=1S/C22H29ClN4O4/c1-14-10-26(11-15(2)31-14)21(28)20-18(27-12-17(23)4-5-19(27)24-20)13-25-8-6-16(7-9-25)22(29)30-3/h4-5,12,14-16H,6-11,13H2,1-3H3/t14-,15+.
What are the key properties of methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate has a molecular weight of 448.95 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 24817175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).