6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine

C20H19F3N8 — CID 164537281

IUPAC6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine
SMILESFC(F)n1cc(-c2ccc3ncc(-c4cccc(N[C@H]5CCNC[C@@H]5F)n4)n3n2)cn1
InChIInChI=1S/C20H19F3N8/c21-13-9-24-7-6-15(13)27-18-3-1-2-16(28-18)17-10-25-19-5-4-14(29-31(17)19)12-8-26-30(11-12)20(22)23/h1-5,8,10-11,13,15,20,24H,6-7,9H2,(H,27,28)/t13-,15-/m0/s1
InChIKeyUUFXHOKJHXBDPL-ZFWWWQNUSA-N
MW428.42 g/mol
LogP3.16
Rot. Bonds5

About 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine

6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine (PubChem CID 164537281) has the molecular formula C20H19F3N8 and a molecular weight of 428.42 g/mol. Its IUPAC name is 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine
PubChem CID164537281
Molecular FormulaC20H19F3N8
Molecular Weight428.42 g/mol
Exact Mass428.17
IUPAC Name6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine
SMILESFC(F)n1cc(-c2ccc3ncc(-c4cccc(N[C@H]5CCNC[C@@H]5F)n4)n3n2)cn1
InChIInChI=1S/C20H19F3N8/c21-13-9-24-7-6-15(13)27-18-3-1-2-16(28-18)17-10-25-19-5-4-14(29-31(17)19)12-8-26-30(11-12)20(22)23/h1-5,8,10-11,13,15,20,24H,6-7,9H2,(H,27,28)/t13-,15-/m0/s1
InChIKeyUUFXHOKJHXBDPL-ZFWWWQNUSA-N
XLogP3.16
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine with MolForge

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Related Compounds

6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine
CID 166961576
N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(6-methylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 170240945
6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 167122401
3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine
CID 167122374
6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane
CID 164537226
N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537288
N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 166961718
6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyridin-2-amine;difluoromethane
CID 164537196
ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 164537015
N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 164537108
N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane
CID 164537186
N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
CID 164537012

Frequently Asked Questions

What is the IUPAC name of 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine?
The IUPAC name of 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine (CID 164537281) is 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine?
The canonical SMILES for 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine is FC(F)n1cc(-c2ccc3ncc(-c4cccc(N[C@H]5CCNC[C@@H]5F)n4)n3n2)cn1.
What is the InChIKey of 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine?
The InChIKey is UUFXHOKJHXBDPL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C20H19F3N8/c21-13-9-24-7-6-15(13)27-18-3-1-2-16(28-18)17-10-25-19-5-4-14(29-31(17)19)12-8-26-30(11-12)20(22)23/h1-5,8,10-11,13,15,20,24H,6-7,9H2,(H,27,28)/t13-,15-/m0/s1.
What are the key properties of 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine?
6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine has a molecular weight of 428.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 164537281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).