N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

C24H25F3N6O — CID 126709049

IUPACN-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1=CC=C(CN2CCCC2)CN1)c1cnc2n1NC(c1ccccc1C(F)(F)F)C=C2
InChIInChI=1S/C24H25F3N6O/c25-24(26,27)18-6-2-1-5-17(18)19-8-10-22-29-14-20(33(22)31-19)23(34)30-21-9-7-16(13-28-21)15-32-11-3-4-12-32/h1-2,5-10,14,19,28,31H,3-4,11-13,15H2,(H,30,34)
InChIKeyDDQVMDMVGJXRTD-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.41
Rot. Bonds5

About N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709049) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126709049
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC NameN-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1=CC=C(CN2CCCC2)CN1)c1cnc2n1NC(c1ccccc1C(F)(F)F)C=C2
InChIInChI=1S/C24H25F3N6O/c25-24(26,27)18-6-2-1-5-17(18)19-8-10-22-29-14-20(33(22)31-19)23(34)30-21-9-7-16(13-28-21)15-32-11-3-4-12-32/h1-2,5-10,14,19,28,31H,3-4,11-13,15H2,(H,30,34)
InChIKeyDDQVMDMVGJXRTD-UHFFFAOYSA-N
XLogP3.41
TPSA74.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 126709049) is N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is O=C(NC1=CC=C(CN2CCCC2)CN1)c1cnc2n1NC(c1ccccc1C(F)(F)F)C=C2.
What is the InChIKey of N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DDQVMDMVGJXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O/c25-24(26,27)18-6-2-1-5-17(18)19-8-10-22-29-14-20(33(22)31-19)23(34)30-21-9-7-16(13-28-21)15-32-11-3-4-12-32/h1-2,5-10,14,19,28,31H,3-4,11-13,15H2,(H,30,34).
What are the key properties of N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).