4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide

C23H28N6O — CID 46933383

IUPAC4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C23H28N6O/c30-23(27-14-19-3-1-2-12-24-19)18-8-6-17(7-9-18)20-15-26-22-11-10-21(28-29(20)22)25-13-16-4-5-16/h6-11,15-16,19,24H,1-5,12-14H2,(H,25,28)(H,27,30)/t19-/m0/s1
InChIKeyVCULOSHGZWNQPI-IBGZPJMESA-N
MW404.52 g/mol
LogP3.09
Rot. Bonds7

About 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide

4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide (PubChem CID 46933383) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide
PubChem CID46933383
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C23H28N6O/c30-23(27-14-19-3-1-2-12-24-19)18-8-6-17(7-9-18)20-15-26-22-11-10-21(28-29(20)22)25-13-16-4-5-16/h6-11,15-16,19,24H,1-5,12-14H2,(H,25,28)(H,27,30)/t19-/m0/s1
InChIKeyVCULOSHGZWNQPI-IBGZPJMESA-N
XLogP3.09
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide?
The IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide (CID 46933383) is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide?
The canonical SMILES for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1.
What is the InChIKey of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide?
The InChIKey is VCULOSHGZWNQPI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N6O/c30-23(27-14-19-3-1-2-12-24-19)18-8-6-17(7-9-18)20-15-26-22-11-10-21(28-29(20)22)25-13-16-4-5-16/h6-11,15-16,19,24H,1-5,12-14H2,(H,25,28)(H,27,30)/t19-/m0/s1.
What are the key properties of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide?
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide has a molecular weight of 404.52 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-piperidin-2-yl]methyl]benzamide is sourced from PubChem (CID 46933383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).