1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one

C20H17ClF2N4O2 — CID 175632166

IUPAC1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1C(C(F)F)COC[C@H]1c1cc(Cl)nc(-c2ccn3ccnc3c2)c1
InChIInChI=1S/C20H17ClF2N4O2/c1-2-19(28)27-15(10-29-11-16(27)20(22)23)13-7-14(25-17(21)8-13)12-3-5-26-6-4-24-18(26)9-12/h2-9,15-16,20H,1,10-11H2/t15-,16?/m0/s1
InChIKeyURZIKCQBRPJDHX-VYRBHSGPSA-N
MW418.83 g/mol
LogP3.77
Rot. Bonds4

About 1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one

1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one (PubChem CID 175632166) has the molecular formula C20H17ClF2N4O2 and a molecular weight of 418.83 g/mol. Its IUPAC name is 1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one
PubChem CID175632166
Molecular FormulaC20H17ClF2N4O2
Molecular Weight418.83 g/mol
Exact Mass418.10
IUPAC Name1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1C(C(F)F)COC[C@H]1c1cc(Cl)nc(-c2ccn3ccnc3c2)c1
InChIInChI=1S/C20H17ClF2N4O2/c1-2-19(28)27-15(10-29-11-16(27)20(22)23)13-7-14(25-17(21)8-13)12-3-5-26-6-4-24-18(26)9-12/h2-9,15-16,20H,1,10-11H2/t15-,16?/m0/s1
InChIKeyURZIKCQBRPJDHX-VYRBHSGPSA-N
XLogP3.77
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.83
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3R,5S)-3-(2-chloro-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 177307163
1-[(3R)-3-[2-chloro-6-(6-methylpyrimidin-4-yl)-4-pyridinyl]-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 175632195
1-[(3R,5S)-3-(3-bromo-5-chlorophenyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 171499553
1-[(3R,5R)-3-(2,6-dichloro-4-pyridinyl)-5-methylmorpholin-4-yl]prop-2-en-1-one
CID 171499534
5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide
CID 171499854
tert-butyl N-[1-[[(3S,5R)-5-[2-(6-aminopyrimidin-4-yl)-6-chloro-4-pyridinyl]-4-prop-2-enoylmorpholine-3-carbonyl]amino]-2-methylpropan-2-yl]oxycarbonyl-N-[6-[4-[(3R,5S)-5-carbamoyl-4-prop-2-enoylmorpholin-3-yl]-6-chloro-2-pyridinyl]pyrimidin-4-yl]carbamate
CID 175633386
5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluoro-N-methylbenzamide
CID 171499203
1-[5-(2,6-dichloro-4-pyridinyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 171499540
3-imidazo[1,2-a]pyridin-7-yl-4-methylmorpholine
CID 155727743
1-[6-[3-(2-aminopyrimidin-4-yl)-5-chlorophenyl]-4-oxa-7-azaspiro[2.5]octan-7-yl]prop-2-en-1-one
CID 171499253
benzyl 7-imidazo[1,2-a]pyridin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene-9-carboxylate
CID 171968602
imidazo[1,2-a]pyridin-7-yl-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 99617785

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one (CID 175632166) is 1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1C(C(F)F)COC[C@H]1c1cc(Cl)nc(-c2ccn3ccnc3c2)c1.
What is the InChIKey of 1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one?
The InChIKey is URZIKCQBRPJDHX-VYRBHSGPSA-N. The full InChI is InChI=1S/C20H17ClF2N4O2/c1-2-19(28)27-15(10-29-11-16(27)20(22)23)13-7-14(25-17(21)8-13)12-3-5-26-6-4-24-18(26)9-12/h2-9,15-16,20H,1,10-11H2/t15-,16?/m0/s1.
What are the key properties of 1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one?
1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one has a molecular weight of 418.83 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-chloro-6-imidazo[1,2-a]pyridin-7-yl-4-pyridinyl)-5-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 175632166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).