[6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C20H25ClN6O2 — CID 29182467

IUPAC[6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)Cc2ccn[nH]2)C[C@H](C)O1
InChIInChI=1S/C20H25ClN6O2/c1-13-8-26(9-14(2)29-13)20(28)19-17(12-25(3)11-16-6-7-22-24-16)27-10-15(21)4-5-18(27)23-19/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,22,24)/t13-,14+
InChIKeyYLUZCGIKOTXKNC-OKILXGFUSA-N
MW416.91 g/mol
LogP2.59
Rot. Bonds5

About [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 29182467) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID29182467
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC Name[6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)Cc2ccn[nH]2)C[C@H](C)O1
InChIInChI=1S/C20H25ClN6O2/c1-13-8-26(9-14(2)29-13)20(28)19-17(12-25(3)11-16-6-7-22-24-16)27-10-15(21)4-5-18(27)23-19/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,22,24)/t13-,14+
InChIKeyYLUZCGIKOTXKNC-OKILXGFUSA-N
XLogP2.59
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 29182467) is [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)Cc2ccn[nH]2)C[C@H](C)O1.
What is the InChIKey of [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is YLUZCGIKOTXKNC-OKILXGFUSA-N. The full InChI is InChI=1S/C20H25ClN6O2/c1-13-8-26(9-14(2)29-13)20(28)19-17(12-25(3)11-16-6-7-22-24-16)27-10-15(21)4-5-18(27)23-19/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,22,24)/t13-,14+.
What are the key properties of [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 416.91 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 29182467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).