2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol

C19H20N4O — CID 170334172

IUPAC2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2c(cc([C@@H]3CCNC3)n2C2CC2)nn1
InChIInChI=1S/C19H20N4O/c24-19-4-2-1-3-14(19)15-9-18-16(22-21-15)10-17(12-7-8-20-11-12)23(18)13-5-6-13/h1-4,9-10,12-13,20,24H,5-8,11H2/t12-/m1/s1
InChIKeyQOIMJCHUIJNOMB-GFCCVEGCSA-N
MW320.40 g/mol
LogP3.22
Rot. Bonds3

About 2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol

2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol (PubChem CID 170334172) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol
PubChem CID170334172
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2c(cc([C@@H]3CCNC3)n2C2CC2)nn1
InChIInChI=1S/C19H20N4O/c24-19-4-2-1-3-14(19)15-9-18-16(22-21-15)10-17(12-7-8-20-11-12)23(18)13-5-6-13/h1-4,9-10,12-13,20,24H,5-8,11H2/t12-/m1/s1
InChIKeyQOIMJCHUIJNOMB-GFCCVEGCSA-N
XLogP3.22
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol (CID 170334172) is 2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol is Oc1ccccc1-c1cc2c(cc([C@@H]3CCNC3)n2C2CC2)nn1.
What is the InChIKey of 2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol?
The InChIKey is QOIMJCHUIJNOMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19-4-2-1-3-14(19)15-9-18-16(22-21-15)10-17(12-7-8-20-11-12)23(18)13-5-6-13/h1-4,9-10,12-13,20,24H,5-8,11H2/t12-/m1/s1.
What are the key properties of 2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol?
2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol has a molecular weight of 320.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 170334172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).