3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine

C17H14N8 — CID 168772951

IUPAC3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
SMILESCc1cnc2ccc(-c3c[nH]c4ncnc(-c5cnn(C)c5)c34)nn12
InChIInChI=1S/C17H14N8/c1-10-5-18-14-4-3-13(23-25(10)14)12-7-19-17-15(12)16(20-9-21-17)11-6-22-24(2)8-11/h3-9H,1-2H3,(H,19,20,21)
InChIKeyFCENGDDCPIGDMH-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.38
Rot. Bonds2

About 3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine

3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine (PubChem CID 168772951) has the molecular formula C17H14N8 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
PubChem CID168772951
Molecular FormulaC17H14N8
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
SMILESCc1cnc2ccc(-c3c[nH]c4ncnc(-c5cnn(C)c5)c34)nn12
InChIInChI=1S/C17H14N8/c1-10-5-18-14-4-3-13(23-25(10)14)12-7-19-17-15(12)16(20-9-21-17)11-6-22-24(2)8-11/h3-9H,1-2H3,(H,19,20,21)
InChIKeyFCENGDDCPIGDMH-UHFFFAOYSA-N
XLogP2.38
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine (CID 168772951) is 3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine is Cc1cnc2ccc(-c3c[nH]c4ncnc(-c5cnn(C)c5)c34)nn12.
What is the InChIKey of 3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine?
The InChIKey is FCENGDDCPIGDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8/c1-10-5-18-14-4-3-13(23-25(10)14)12-7-19-17-15(12)16(20-9-21-17)11-6-22-24(2)8-11/h3-9H,1-2H3,(H,19,20,21).
What are the key properties of 3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine?
3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine has a molecular weight of 330.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 168772951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).