7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C16H22N4O — CID 67965614

IUPAC7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1ccc2c(N[C@@H]3CCCC[C@@H]3C)c(C(N)=O)cnn12
InChIInChI=1S/C16H22N4O/c1-10-5-3-4-6-13(10)19-15-12(16(17)21)9-18-20-11(2)7-8-14(15)20/h7-10,13,19H,3-6H2,1-2H3,(H2,17,21)/t10-,13+/m0/s1
InChIKeySCCOLRVJZKGLNM-GXFFZTMASA-N
MW286.38 g/mol
LogP2.73
Rot. Bonds3

About 7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 67965614) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID67965614
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1ccc2c(N[C@@H]3CCCC[C@@H]3C)c(C(N)=O)cnn12
InChIInChI=1S/C16H22N4O/c1-10-5-3-4-6-13(10)19-15-12(16(17)21)9-18-20-11(2)7-8-14(15)20/h7-10,13,19H,3-6H2,1-2H3,(H2,17,21)/t10-,13+/m0/s1
InChIKeySCCOLRVJZKGLNM-GXFFZTMASA-N
XLogP2.73
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 67965614) is 7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is Cc1ccc2c(N[C@@H]3CCCC[C@@H]3C)c(C(N)=O)cnn12.
What is the InChIKey of 7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SCCOLRVJZKGLNM-GXFFZTMASA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-5-3-4-6-13(10)19-15-12(16(17)21)9-18-20-11(2)7-8-14(15)20/h7-10,13,19H,3-6H2,1-2H3,(H2,17,21)/t10-,13+/m0/s1.
What are the key properties of 7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 67965614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).