5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one

C25H21F3N6O — CID 163385272

IUPAC5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one
SMILESCc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c(C(F)(F)F)cn(CC4CC4)c23)cn1
InChIInChI=1S/C25H21F3N6O/c1-14-3-6-16(10-29-14)21-23-22(19(25(26,27)28)13-33(23)11-15-4-5-15)31-34(24(21)35)18-7-8-20-17(9-18)12-32(2)30-20/h3,6-10,12-13,15H,4-5,11H2,1-2H3
InChIKeyDHCPALQOLHYSHA-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.87
Rot. Bonds4

About 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one

5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one (PubChem CID 163385272) has the molecular formula C25H21F3N6O and a molecular weight of 478.48 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one
PubChem CID163385272
Molecular FormulaC25H21F3N6O
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC Name5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one
SMILESCc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c(C(F)(F)F)cn(CC4CC4)c23)cn1
InChIInChI=1S/C25H21F3N6O/c1-14-3-6-16(10-29-14)21-23-22(19(25(26,27)28)13-33(23)11-15-4-5-15)31-34(24(21)35)18-7-8-20-17(9-18)12-32(2)30-20/h3,6-10,12-13,15H,4-5,11H2,1-2H3
InChIKeyDHCPALQOLHYSHA-UHFFFAOYSA-N
XLogP4.87
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one (CID 163385272) is 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one is Cc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c(C(F)(F)F)cn(CC4CC4)c23)cn1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one?
The InChIKey is DHCPALQOLHYSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O/c1-14-3-6-16(10-29-14)21-23-22(19(25(26,27)28)13-33(23)11-15-4-5-15)31-34(24(21)35)18-7-8-20-17(9-18)12-32(2)30-20/h3,6-10,12-13,15H,4-5,11H2,1-2H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one?
5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one has a molecular weight of 478.48 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)pyrrolo[3,2-c]pyridazin-3-one is sourced from PubChem (CID 163385272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).