(2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid

C13H15F2N5O2 — CID 141385920

IUPAC(2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H]1CNc1ccc2ncc(C(F)F)n2n1
InChIInChI=1S/C13H15F2N5O2/c14-12(15)9-7-17-11-4-3-10(18-20(9)11)16-6-8-2-1-5-19(8)13(21)22/h3-4,7-8,12H,1-2,5-6H2,(H,16,18)(H,21,22)/t8-/m0/s1
InChIKeyQMSKGEYLASEGAZ-QMMMGPOBSA-N
MW311.29 g/mol
LogP2.22
Rot. Bonds4

About (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid

(2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid (PubChem CID 141385920) has the molecular formula C13H15F2N5O2 and a molecular weight of 311.29 g/mol. Its IUPAC name is (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid
PubChem CID141385920
Molecular FormulaC13H15F2N5O2
Molecular Weight311.29 g/mol
Exact Mass311.12
IUPAC Name(2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H]1CNc1ccc2ncc(C(F)F)n2n1
InChIInChI=1S/C13H15F2N5O2/c14-12(15)9-7-17-11-4-3-10(18-20(9)11)16-6-8-2-1-5-19(8)13(21)22/h3-4,7-8,12H,1-2,5-6H2,(H,16,18)(H,21,22)/t8-/m0/s1
InChIKeyQMSKGEYLASEGAZ-QMMMGPOBSA-N
XLogP2.22
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 140516562
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810
2-[[[3-[4-(aminomethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-5-tert-butylpiperidine-1-carboxylic acid
CID 118678168
(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 67090908
(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 90464997
tert-butyl 2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;ethane
CID 155735409
tert-butyl (2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176737
tert-butyl 2-[[(5-bromo-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 67090767
(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid
CID 67089806
1-[4-[[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133429694
tert-butyl (2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 170977694
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 44580273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid (CID 141385920) is (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC[C@H]1CNc1ccc2ncc(C(F)F)n2n1.
What is the InChIKey of (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is QMSKGEYLASEGAZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15F2N5O2/c14-12(15)9-7-17-11-4-3-10(18-20(9)11)16-6-8-2-1-5-19(8)13(21)22/h3-4,7-8,12H,1-2,5-6H2,(H,16,18)(H,21,22)/t8-/m0/s1.
What are the key properties of (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid?
(2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 311.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 141385920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).