N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

C19H19F3N6 — CID 164537113

IUPACN-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESFC(F)(F)C1(c2cnn3c(-c4cccc(NC5CCNC5)n4)cnc3c2)CC1
InChIInChI=1S/C19H19F3N6/c20-19(21,22)18(5-6-18)12-8-17-24-11-15(28(17)25-9-12)14-2-1-3-16(27-14)26-13-4-7-23-10-13/h1-3,8-9,11,13,23H,4-7,10H2,(H,26,27)
InChIKeyXLSZVOABDPXTKW-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.16
Rot. Bonds4

About N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (PubChem CID 164537113) has the molecular formula C19H19F3N6 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
PubChem CID164537113
Molecular FormulaC19H19F3N6
Molecular Weight388.40 g/mol
Exact Mass388.16
IUPAC NameN-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESFC(F)(F)C1(c2cnn3c(-c4cccc(NC5CCNC5)n4)cnc3c2)CC1
InChIInChI=1S/C19H19F3N6/c20-19(21,22)18(5-6-18)12-8-17-24-11-15(28(17)25-9-12)14-2-1-3-16(27-14)26-13-4-7-23-10-13/h1-3,8-9,11,13,23H,4-7,10H2,(H,26,27)
InChIKeyXLSZVOABDPXTKW-UHFFFAOYSA-N
XLogP3.16
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The IUPAC name of N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (CID 164537113) is N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The canonical SMILES for N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is FC(F)(F)C1(c2cnn3c(-c4cccc(NC5CCNC5)n4)cnc3c2)CC1.
What is the InChIKey of N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The InChIKey is XLSZVOABDPXTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6/c20-19(21,22)18(5-6-18)12-8-17-24-11-15(28(17)25-9-12)14-2-1-3-16(27-14)26-13-4-7-23-10-13/h1-3,8-9,11,13,23H,4-7,10H2,(H,26,27).
What are the key properties of N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine has a molecular weight of 388.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 164537113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).