8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide

C16H19F2N5O3 — CID 172615135

IUPAC8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide
SMILESCOCc1nc2c(C(=O)NC3CCC(F)(F)CC3)ccnn2c1C(N)=O
InChIInChI=1S/C16H19F2N5O3/c1-26-8-11-12(13(19)24)23-14(22-11)10(4-7-20-23)15(25)21-9-2-5-16(17,18)6-3-9/h4,7,9H,2-3,5-6,8H2,1H3,(H2,19,24)(H,21,25)
InChIKeyROJVFYCQPWTBRP-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.28
Rot. Bonds5

About 8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide

8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide (PubChem CID 172615135) has the molecular formula C16H19F2N5O3 and a molecular weight of 367.36 g/mol. Its IUPAC name is 8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide
PubChem CID172615135
Molecular FormulaC16H19F2N5O3
Molecular Weight367.36 g/mol
Exact Mass367.15
IUPAC Name8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide
SMILESCOCc1nc2c(C(=O)NC3CCC(F)(F)CC3)ccnn2c1C(N)=O
InChIInChI=1S/C16H19F2N5O3/c1-26-8-11-12(13(19)24)23-14(22-11)10(4-7-20-23)15(25)21-9-2-5-16(17,18)6-3-9/h4,7,9H,2-3,5-6,8H2,1H3,(H2,19,24)(H,21,25)
InChIKeyROJVFYCQPWTBRP-UHFFFAOYSA-N
XLogP1.28
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide?
The IUPAC name of 8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide (CID 172615135) is 8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide?
The canonical SMILES for 8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide is COCc1nc2c(C(=O)NC3CCC(F)(F)CC3)ccnn2c1C(N)=O.
What is the InChIKey of 8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide?
The InChIKey is ROJVFYCQPWTBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O3/c1-26-8-11-12(13(19)24)23-14(22-11)10(4-7-20-23)15(25)21-9-2-5-16(17,18)6-3-9/h4,7,9H,2-3,5-6,8H2,1H3,(H2,19,24)(H,21,25).
What are the key properties of 8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide?
8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide has a molecular weight of 367.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide is sourced from PubChem (CID 172615135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).