N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide

C24H27N7O — CID 66695708

IUPACN-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCC(C)CNc1cc(-c2cnn(C)c2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C24H27N7O/c1-15(2)11-25-21-10-20(18-12-27-30(3)14-18)29-31-22(13-26-23(21)31)16-4-6-17(7-5-16)24(32)28-19-8-9-19/h4-7,10,12-15,19,25H,8-9,11H2,1-3H3,(H,28,32)
InChIKeyJPNJIPOAVFZYEQ-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.76
Rot. Bonds7

About N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide

N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 66695708) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID66695708
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCC(C)CNc1cc(-c2cnn(C)c2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C24H27N7O/c1-15(2)11-25-21-10-20(18-12-27-30(3)14-18)29-31-22(13-26-23(21)31)16-4-6-17(7-5-16)24(32)28-19-8-9-19/h4-7,10,12-15,19,25H,8-9,11H2,1-3H3,(H,28,32)
InChIKeyJPNJIPOAVFZYEQ-UHFFFAOYSA-N
XLogP3.76
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide
CID 66695772
N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66695638
N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66691194
N-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66691598
N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 66603602
N-cyclopropyl-4-[6-[4-(2-cyclopropylacetyl)phenyl]-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162002961
2-chloro-N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 90256484
4-[6-(1-benzofuran-2-yl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 57383166
N-cyclopropyl-4-[6-(4-ethenylphenyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57407262
N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57406684
N-cyclopropyl-4-[6-(3-hydroxypropyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90123415
2-[3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetic acid
CID 57382783

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 66695708) is N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide is CC(C)CNc1cc(-c2cnn(C)c2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is JPNJIPOAVFZYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-15(2)11-25-21-10-20(18-12-27-30(3)14-18)29-31-22(13-26-23(21)31)16-4-6-17(7-5-16)24(32)28-19-8-9-19/h4-7,10,12-15,19,25H,8-9,11H2,1-3H3,(H,28,32).
What are the key properties of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 429.53 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 66695708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).