2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one

C20H25N7O2 — CID 137203475

IUPAC2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC(Nc2ccc3nccn3n2)C1
InChIInChI=1S/C20H25N7O2/c1-12-16(17(28)24-19(22-12)20(2,3)4)18(29)26-9-7-13(11-26)23-14-5-6-15-21-8-10-27(15)25-14/h5-6,8,10,13H,7,9,11H2,1-4H3,(H,23,25)(H,22,24,28)
InChIKeyWLRMWPPZKRTUMZ-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.75
Rot. Bonds3

About 2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one

2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137203475) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137203475
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC(Nc2ccc3nccn3n2)C1
InChIInChI=1S/C20H25N7O2/c1-12-16(17(28)24-19(22-12)20(2,3)4)18(29)26-9-7-13(11-26)23-14-5-6-15-21-8-10-27(15)25-14/h5-6,8,10,13H,7,9,11H2,1-4H3,(H,23,25)(H,22,24,28)
InChIKeyWLRMWPPZKRTUMZ-UHFFFAOYSA-N
XLogP1.75
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one (CID 137203475) is 2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC(Nc2ccc3nccn3n2)C1.
What is the InChIKey of 2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WLRMWPPZKRTUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-12-16(17(28)24-19(22-12)20(2,3)4)18(29)26-9-7-13(11-26)23-14-5-6-15-21-8-10-27(15)25-14/h5-6,8,10,13H,7,9,11H2,1-4H3,(H,23,25)(H,22,24,28).
What are the key properties of 2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one?
2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 395.47 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137203475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).