5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C24H22N6O3 — CID 157034470

IUPAC5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1CN(C(=O)c2ccc([C@H]3C[C@@H]3c3cc(-c4c[nH]c(=O)[nH]c4=O)nn4ccnc34)cc2)C1
InChIInChI=1S/C24H22N6O3/c1-13-11-29(12-13)23(32)15-4-2-14(3-5-15)16-8-17(16)18-9-20(28-30-7-6-25-21(18)30)19-10-26-24(33)27-22(19)31/h2-7,9-10,13,16-17H,8,11-12H2,1H3,(H2,26,27,31,33)/t16-,17+/m1/s1
InChIKeyZZAWDRNUXISAKJ-SJORKVTESA-N
MW442.48 g/mol
LogP2.14
Rot. Bonds4

About 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157034470) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157034470
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1CN(C(=O)c2ccc([C@H]3C[C@@H]3c3cc(-c4c[nH]c(=O)[nH]c4=O)nn4ccnc34)cc2)C1
InChIInChI=1S/C24H22N6O3/c1-13-11-29(12-13)23(32)15-4-2-14(3-5-15)16-8-17(16)18-9-20(28-30-7-6-25-21(18)30)19-10-26-24(33)27-22(19)31/h2-7,9-10,13,16-17H,8,11-12H2,1H3,(H2,26,27,31,33)/t16-,17+/m1/s1
InChIKeyZZAWDRNUXISAKJ-SJORKVTESA-N
XLogP2.14
TPSA116.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157034470) is 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is CC1CN(C(=O)c2ccc([C@H]3C[C@@H]3c3cc(-c4c[nH]c(=O)[nH]c4=O)nn4ccnc34)cc2)C1.
What is the InChIKey of 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZZAWDRNUXISAKJ-SJORKVTESA-N. The full InChI is InChI=1S/C24H22N6O3/c1-13-11-29(12-13)23(32)15-4-2-14(3-5-15)16-8-17(16)18-9-20(28-30-7-6-25-21(18)30)19-10-26-24(33)27-22(19)31/h2-7,9-10,13,16-17H,8,11-12H2,1H3,(H2,26,27,31,33)/t16-,17+/m1/s1.
What are the key properties of 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 442.48 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1S,2S)-2-[4-(3-methylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157034470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).