5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide

C29H28N6O2 — CID 163385309

IUPAC5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
SMILESCNC(=O)c1cn(CC2CC2)c2c(-c3ccc(C4CC4)cc3)c(=O)n(-c3ccc4nn(C)cc4c3)nc12
InChIInChI=1S/C29H28N6O2/c1-30-28(36)23-16-34(14-17-3-4-17)27-25(20-9-7-19(8-10-20)18-5-6-18)29(37)35(32-26(23)27)22-11-12-24-21(13-22)15-33(2)31-24/h7-13,15-18H,3-6,14H2,1-2H3,(H,30,36)
InChIKeyNSFZWCABBWWSHE-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.39
Rot. Bonds6

About 5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide

5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide (PubChem CID 163385309) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
PubChem CID163385309
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC Name5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
SMILESCNC(=O)c1cn(CC2CC2)c2c(-c3ccc(C4CC4)cc3)c(=O)n(-c3ccc4nn(C)cc4c3)nc12
InChIInChI=1S/C29H28N6O2/c1-30-28(36)23-16-34(14-17-3-4-17)27-25(20-9-7-19(8-10-20)18-5-6-18)29(37)35(32-26(23)27)22-11-12-24-21(13-22)15-33(2)31-24/h7-13,15-18H,3-6,14H2,1-2H3,(H,30,36)
InChIKeyNSFZWCABBWWSHE-UHFFFAOYSA-N
XLogP4.39
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide?
The IUPAC name of 5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide (CID 163385309) is 5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide?
The canonical SMILES for 5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide is CNC(=O)c1cn(CC2CC2)c2c(-c3ccc(C4CC4)cc3)c(=O)n(-c3ccc4nn(C)cc4c3)nc12.
What is the InChIKey of 5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide?
The InChIKey is NSFZWCABBWWSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-30-28(36)23-16-34(14-17-3-4-17)27-25(20-9-7-19(8-10-20)18-5-6-18)29(37)35(32-26(23)27)22-11-12-24-21(13-22)15-33(2)31-24/h7-13,15-18H,3-6,14H2,1-2H3,(H,30,36).
What are the key properties of 5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide?
5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide is sourced from PubChem (CID 163385309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).