[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

C19H20FN5O2 — CID 124891846

IUPAC[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)c3c(C)nc4ccccn34)C2)c1F
InChIInChI=1S/C19H20FN5O2/c1-3-14-16(20)18(22-11-21-14)27-13-7-9-24(10-13)19(26)17-12(2)23-15-6-4-5-8-25(15)17/h4-6,8,11,13H,3,7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyHXDFVPCPJQTMCP-ZDUSSCGKSA-N
MW369.40 g/mol
LogP2.43
Rot. Bonds4

About [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 124891846) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID124891846
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)c3c(C)nc4ccccn34)C2)c1F
InChIInChI=1S/C19H20FN5O2/c1-3-14-16(20)18(22-11-21-14)27-13-7-9-24(10-13)19(26)17-12(2)23-15-6-4-5-8-25(15)17/h4-6,8,11,13H,3,7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyHXDFVPCPJQTMCP-ZDUSSCGKSA-N
XLogP2.43
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 121017693
ethyl (3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 124891806
1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrrol-1-ylethanone
CID 129354811
(3,5-dimethyl-1H-pyrazol-4-yl)-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 121017735
1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 129355507
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 124760622
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 121197401
[2-(difluoromethylsulfonyl)phenyl]-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 119100478
N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 124727920
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91815903
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91625447
[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 121017724

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (CID 124891846) is [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is CCc1ncnc(O[C@H]2CCN(C(=O)c3c(C)nc4ccccn34)C2)c1F.
What is the InChIKey of [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is HXDFVPCPJQTMCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-3-14-16(20)18(22-11-21-14)27-13-7-9-24(10-13)19(26)17-12(2)23-15-6-4-5-8-25(15)17/h4-6,8,11,13H,3,7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 369.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 124891846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).