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

C23H20ClFN6O2 — CID 86649272

IUPAC6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(c2cc(Cl)nn3c(C(=O)Nc4ccncc4F)cnc23)C2CC2)cc1
InChIInChI=1S/C23H20ClFN6O2/c1-33-16-6-2-14(3-7-16)13-30(15-4-5-15)19-10-21(24)29-31-20(12-27-22(19)31)23(32)28-18-8-9-26-11-17(18)25/h2-3,6-12,15H,4-5,13H2,1H3,(H,26,28,32)
InChIKeyXEERRXWEBFARQZ-UHFFFAOYSA-N
MW466.90 g/mol
LogP4.35
Rot. Bonds7

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

6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 86649272) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID86649272
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC Name6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(c2cc(Cl)nn3c(C(=O)Nc4ccncc4F)cnc23)C2CC2)cc1
InChIInChI=1S/C23H20ClFN6O2/c1-33-16-6-2-14(3-7-16)13-30(15-4-5-15)19-10-21(24)29-31-20(12-27-22(19)31)23(32)28-18-8-9-26-11-17(18)25/h2-3,6-12,15H,4-5,13H2,1H3,(H,26,28,32)
InChIKeyXEERRXWEBFARQZ-UHFFFAOYSA-N
XLogP4.35
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 86649272) is 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(CN(c2cc(Cl)nn3c(C(=O)Nc4ccncc4F)cnc23)C2CC2)cc1.
What is the InChIKey of 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is XEERRXWEBFARQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c1-33-16-6-2-14(3-7-16)13-30(15-4-5-15)19-10-21(24)29-31-20(12-27-22(19)31)23(32)28-18-8-9-26-11-17(18)25/h2-3,6-12,15H,4-5,13H2,1H3,(H,26,28,32).
What are the key properties of 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 466.90 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 86649272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).