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

C22H26N6O — CID 46933384

IUPAC4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C22H26N6O/c29-22(26-13-18-2-1-11-23-18)17-7-5-16(6-8-17)19-14-25-21-10-9-20(27-28(19)21)24-12-15-3-4-15/h5-10,14-15,18,23H,1-4,11-13H2,(H,24,27)(H,26,29)/t18-/m0/s1
InChIKeyVDTACYBUGLTWCI-SFHVURJKSA-N
MW390.49 g/mol
LogP2.70
Rot. Bonds7

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

4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide (PubChem CID 46933384) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
PubChem CID46933384
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C22H26N6O/c29-22(26-13-18-2-1-11-23-18)17-7-5-16(6-8-17)19-14-25-21-10-9-20(27-28(19)21)24-12-15-3-4-15/h5-10,14-15,18,23H,1-4,11-13H2,(H,24,27)(H,26,29)/t18-/m0/s1
InChIKeyVDTACYBUGLTWCI-SFHVURJKSA-N
XLogP2.70
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.70
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)-pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide (CID 46933384) is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1.
What is the InChIKey of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is VDTACYBUGLTWCI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N6O/c29-22(26-13-18-2-1-11-23-18)17-7-5-16(6-8-17)19-14-25-21-10-9-20(27-28(19)21)24-12-15-3-4-15/h5-10,14-15,18,23H,1-4,11-13H2,(H,24,27)(H,26,29)/t18-/m0/s1.
What are the key properties of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.70, 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)-pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 46933384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).