N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide

C29H29F3N10O2 — CID 123399911

IUPACN-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3n2N=CC(c2cnn(C4CCN(C(=O)Nc5cccnc5)CC4)c2)C3)c1
InChIInChI=1S/C29H29F3N10O2/c30-29(31,32)18-35-27(43)38-22-4-1-3-19(11-22)25-16-34-26-12-20(13-37-42(25)26)21-14-36-41(17-21)24-6-9-40(10-7-24)28(44)39-23-5-2-8-33-15-23/h1-5,8,11,13-17,20,24H,6-7,9-10,12,18H2,(H,39,44)(H2,35,38,43)
InChIKeyQGYDPVRPIQUNKP-UHFFFAOYSA-N
MW606.61 g/mol
LogP4.87
Rot. Bonds6

About N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide

N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 123399911) has the molecular formula C29H29F3N10O2 and a molecular weight of 606.61 g/mol. Its IUPAC name is N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID123399911
Molecular FormulaC29H29F3N10O2
Molecular Weight606.61 g/mol
Exact Mass606.24
IUPAC NameN-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3n2N=CC(c2cnn(C4CCN(C(=O)Nc5cccnc5)CC4)c2)C3)c1
InChIInChI=1S/C29H29F3N10O2/c30-29(31,32)18-35-27(43)38-22-4-1-3-19(11-22)25-16-34-26-12-20(13-37-42(25)26)21-14-36-41(17-21)24-6-9-40(10-7-24)28(44)39-23-5-2-8-33-15-23/h1-5,8,11,13-17,20,24H,6-7,9-10,12,18H2,(H,39,44)(H2,35,38,43)
InChIKeyQGYDPVRPIQUNKP-UHFFFAOYSA-N
XLogP4.87
TPSA134.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.61
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

1-[3-[7-[1-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazol-4-yl]-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 123924072
1-[3-[7-[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 57388124
tert-butyl 4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67980046
1-[3-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;formic acid
CID 68596128
1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130
1-[3-[7-(5-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320951
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]boronic acid
CID 59320848
1-[3-[7-[3-(oxan-4-ylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320974
1-[3-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321171
1-[3-[6-(3-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 68595425
1-(2,2,2-trifluoroethyl)-3-[3-[7-[4-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 89121309

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide (CID 123399911) is N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3n2N=CC(c2cnn(C4CCN(C(=O)Nc5cccnc5)CC4)c2)C3)c1.
What is the InChIKey of N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is QGYDPVRPIQUNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N10O2/c30-29(31,32)18-35-27(43)38-22-4-1-3-19(11-22)25-16-34-26-12-20(13-37-42(25)26)21-14-36-41(17-21)24-6-9-40(10-7-24)28(44)39-23-5-2-8-33-15-23/h1-5,8,11,13-17,20,24H,6-7,9-10,12,18H2,(H,39,44)(H2,35,38,43).
What are the key properties of N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide?
N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 606.61 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 123399911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).