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

C24H19F3N6O — CID 163385289

IUPAC5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one
SMILESCn1cc2cc(-n3nc4ccn(CC5CC5)c4c(-c4ccc(C(F)(F)F)nc4)c3=O)ccc2n1
InChIInChI=1S/C24H19F3N6O/c1-31-13-16-10-17(5-6-18(16)29-31)33-23(34)21(15-4-7-20(28-11-15)24(25,26)27)22-19(30-33)8-9-32(22)12-14-2-3-14/h4-11,13-14H,2-3,12H2,1H3
InChIKeyIRKKMSNORMPCGQ-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.56
Rot. Bonds4

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

5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one (PubChem CID 163385289) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one
PubChem CID163385289
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC Name5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one
SMILESCn1cc2cc(-n3nc4ccn(CC5CC5)c4c(-c4ccc(C(F)(F)F)nc4)c3=O)ccc2n1
InChIInChI=1S/C24H19F3N6O/c1-31-13-16-10-17(5-6-18(16)29-31)33-23(34)21(15-4-7-20(28-11-15)24(25,26)27)22-19(30-33)8-9-32(22)12-14-2-3-14/h4-11,13-14H,2-3,12H2,1H3
InChIKeyIRKKMSNORMPCGQ-UHFFFAOYSA-N
XLogP4.56
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.56
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-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one (CID 163385289) is 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one is Cn1cc2cc(-n3nc4ccn(CC5CC5)c4c(-c4ccc(C(F)(F)F)nc4)c3=O)ccc2n1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one?
The InChIKey is IRKKMSNORMPCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c1-31-13-16-10-17(5-6-18(16)29-31)33-23(34)21(15-4-7-20(28-11-15)24(25,26)27)22-19(30-33)8-9-32(22)12-14-2-3-14/h4-11,13-14H,2-3,12H2,1H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one?
5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one has a molecular weight of 464.45 g/mol, XLogP of 4.56, 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-(trifluoromethyl)-3-pyridinyl]pyrrolo[3,2-c]pyridazin-3-one is sourced from PubChem (CID 163385289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).