6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

C22H20ClN7O2 — CID 59624448

IUPAC6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(c2cc(Cl)nn3c(C(=O)Nc4ccncn4)cnc23)C2CC2)cc1
InChIInChI=1S/C22H20ClN7O2/c1-32-16-6-2-14(3-7-16)12-29(15-4-5-15)17-10-19(23)28-30-18(11-25-21(17)30)22(31)27-20-8-9-24-13-26-20/h2-3,6-11,13,15H,4-5,12H2,1H3,(H,24,26,27,31)
InChIKeyAXVIGURKJBWGTF-UHFFFAOYSA-N
MW449.90 g/mol
LogP3.60
Rot. Bonds7

About 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624448) has the molecular formula C22H20ClN7O2 and a molecular weight of 449.90 g/mol. Its IUPAC name is 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624448
Molecular FormulaC22H20ClN7O2
Molecular Weight449.90 g/mol
Exact Mass449.14
IUPAC Name6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(c2cc(Cl)nn3c(C(=O)Nc4ccncn4)cnc23)C2CC2)cc1
InChIInChI=1S/C22H20ClN7O2/c1-32-16-6-2-14(3-7-16)12-29(15-4-5-15)17-10-19(23)28-30-18(11-25-21(17)30)22(31)27-20-8-9-24-13-26-20/h2-3,6-11,13,15H,4-5,12H2,1H3,(H,24,26,27,31)
InChIKeyAXVIGURKJBWGTF-UHFFFAOYSA-N
XLogP3.60
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.90
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 59624448) is 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(CN(c2cc(Cl)nn3c(C(=O)Nc4ccncn4)cnc23)C2CC2)cc1.
What is the InChIKey of 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is AXVIGURKJBWGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O2/c1-32-16-6-2-14(3-7-16)12-29(15-4-5-15)17-10-19(23)28-30-18(11-25-21(17)30)22(31)27-20-8-9-24-13-26-20/h2-3,6-11,13,15H,4-5,12H2,1H3,(H,24,26,27,31).
What are the key properties of 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 449.90 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).