[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone

C19H19FN6O2 — CID 163322766

IUPAC[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2ncc(-c3nc(NC4CC4)ncc3F)n2c1)N1CCOCC1
InChIInChI=1S/C19H19FN6O2/c20-14-9-22-19(23-13-2-3-13)24-17(14)15-10-21-16-4-1-12(11-26(15)16)18(27)25-5-7-28-8-6-25/h1,4,9-11,13H,2-3,5-8H2,(H,22,23,24)
InChIKeyLKCMYBSHFRYZSX-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.98
Rot. Bonds4

About [3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone

[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone (PubChem CID 163322766) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is [3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
PubChem CID163322766
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2ncc(-c3nc(NC4CC4)ncc3F)n2c1)N1CCOCC1
InChIInChI=1S/C19H19FN6O2/c20-14-9-22-19(23-13-2-3-13)24-17(14)15-10-21-16-4-1-12(11-26(15)16)18(27)25-5-7-28-8-6-25/h1,4,9-11,13H,2-3,5-8H2,(H,22,23,24)
InChIKeyLKCMYBSHFRYZSX-UHFFFAOYSA-N
XLogP1.98
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone (CID 163322766) is [3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2ncc(-c3nc(NC4CC4)ncc3F)n2c1)N1CCOCC1.
What is the InChIKey of [3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is LKCMYBSHFRYZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-14-9-22-19(23-13-2-3-13)24-17(14)15-10-21-16-4-1-12(11-26(15)16)18(27)25-5-7-28-8-6-25/h1,4,9-11,13H,2-3,5-8H2,(H,22,23,24).
What are the key properties of [3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone?
[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 382.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163322766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).