propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate

C19H23N7O3 — CID 123804341

IUPACpropan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2ccc3ncc(-c4cnc(N)nc4)n3n2)CC1
InChIInChI=1S/C19H23N7O3/c1-12(2)28-19(27)25-7-5-14(6-8-25)29-17-4-3-16-21-11-15(26(16)24-17)13-9-22-18(20)23-10-13/h3-4,9-12,14H,5-8H2,1-2H3,(H2,20,22,23)
InChIKeyZRPXXPSDDMBKRW-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.16
Rot. Bonds4

About propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate (PubChem CID 123804341) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate
PubChem CID123804341
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Namepropan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2ccc3ncc(-c4cnc(N)nc4)n3n2)CC1
InChIInChI=1S/C19H23N7O3/c1-12(2)28-19(27)25-7-5-14(6-8-25)29-17-4-3-16-21-11-15(26(16)24-17)13-9-22-18(20)23-10-13/h3-4,9-12,14H,5-8H2,1-2H3,(H2,20,22,23)
InChIKeyZRPXXPSDDMBKRW-UHFFFAOYSA-N
XLogP2.16
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate (CID 123804341) is propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Oc2ccc3ncc(-c4cnc(N)nc4)n3n2)CC1.
What is the InChIKey of propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate?
The InChIKey is ZRPXXPSDDMBKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-12(2)28-19(27)25-7-5-14(6-8-25)29-17-4-3-16-21-11-15(26(16)24-17)13-9-22-18(20)23-10-13/h3-4,9-12,14H,5-8H2,1-2H3,(H2,20,22,23).
What are the key properties of propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate has a molecular weight of 397.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-b]pyridazin-6-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 123804341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).