4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile

C27H25N7O — CID 163385337

IUPAC4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile
SMILESCC(C)Cn1cc(C#N)c2nn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(C4CC4)nc3)c21
InChIInChI=1S/C27H25N7O/c1-16(2)13-33-15-20(11-28)25-26(33)24(18-6-8-22(29-12-18)17-4-5-17)27(35)34(31-25)21-7-9-23-19(10-21)14-32(3)30-23/h6-10,12,14-17H,4-5,13H2,1-3H3
InChIKeySMNPXCSHERWNMC-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.54
Rot. Bonds5

About 4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile

4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile (PubChem CID 163385337) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is 4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile.

Molecular Properties

Compound Name4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile
PubChem CID163385337
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC Name4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile
SMILESCC(C)Cn1cc(C#N)c2nn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(C4CC4)nc3)c21
InChIInChI=1S/C27H25N7O/c1-16(2)13-33-15-20(11-28)25-26(33)24(18-6-8-22(29-12-18)17-4-5-17)27(35)34(31-25)21-7-9-23-19(10-21)14-32(3)30-23/h6-10,12,14-17H,4-5,13H2,1-3H3
InChIKeySMNPXCSHERWNMC-UHFFFAOYSA-N
XLogP4.54
TPSA94.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile?
The IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile (CID 163385337) is 4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile.
What is the SMILES notation for 4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile?
The canonical SMILES for 4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile is CC(C)Cn1cc(C#N)c2nn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(C4CC4)nc3)c21.
What is the InChIKey of 4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile?
The InChIKey is SMNPXCSHERWNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-16(2)13-33-15-20(11-28)25-26(33)24(18-6-8-22(29-12-18)17-4-5-17)27(35)34(31-25)21-7-9-23-19(10-21)14-32(3)30-23/h6-10,12,14-17H,4-5,13H2,1-3H3.
What are the key properties of 4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile?
4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile has a molecular weight of 463.55 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile is sourced from PubChem (CID 163385337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).