5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one

C24H25N7O — CID 162665025

IUPAC5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
SMILESCc1cc(-c2ccc3nc(N)c(-c4cnn(C)c4)n3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C24H25N7O/c1-13-8-16(9-17-12-30(24(32)21(13)17)14(2)15-4-5-15)19-6-7-20-27-23(25)22(31(20)28-19)18-10-26-29(3)11-18/h6-11,14-15H,4-5,12,25H2,1-3H3/t14-/m0/s1
InChIKeyBWDHIBNDWRLHPL-AWEZNQCLSA-N
MW427.51 g/mol
LogP3.44
Rot. Bonds4

About 5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one

5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one (PubChem CID 162665025) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
PubChem CID162665025
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
SMILESCc1cc(-c2ccc3nc(N)c(-c4cnn(C)c4)n3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C24H25N7O/c1-13-8-16(9-17-12-30(24(32)21(13)17)14(2)15-4-5-15)19-6-7-20-27-23(25)22(31(20)28-19)18-10-26-29(3)11-18/h6-11,14-15H,4-5,12,25H2,1-3H3/t14-/m0/s1
InChIKeyBWDHIBNDWRLHPL-AWEZNQCLSA-N
XLogP3.44
TPSA94.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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example 13 [WO2015132799A2]
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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
The IUPAC name of 5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one (CID 162665025) is 5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one is Cc1cc(-c2ccc3nc(N)c(-c4cnn(C)c4)n3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of 5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
The InChIKey is BWDHIBNDWRLHPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H25N7O/c1-13-8-16(9-17-12-30(24(32)21(13)17)14(2)15-4-5-15)19-6-7-20-27-23(25)22(31(20)28-19)18-10-26-29(3)11-18/h6-11,14-15H,4-5,12,25H2,1-3H3/t14-/m0/s1.
What are the key properties of 5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one has a molecular weight of 427.51 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one is sourced from PubChem (CID 162665025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).