6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C21H26F3N9O — CID 162676578

IUPAC6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1cn(C2CCNCC2)nc1C(F)(F)F)c1cnc2ccc(N[C@@H]3CCCNC3)nn12
InChIInChI=1S/C21H26F3N9O/c22-21(23,24)19-15(12-32(31-19)14-5-8-25-9-6-14)29-20(34)16-11-27-18-4-3-17(30-33(16)18)28-13-2-1-7-26-10-13/h3-4,11-14,25-26H,1-2,5-10H2,(H,28,30)(H,29,34)/t13-/m1/s1
InChIKeyRDEFHEGIVKDWLQ-CYBMUJFWSA-N
MW477.50 g/mol
LogP2.29
Rot. Bonds5

About 6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162676578) has the molecular formula C21H26F3N9O and a molecular weight of 477.50 g/mol. Its IUPAC name is 6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162676578
Molecular FormulaC21H26F3N9O
Molecular Weight477.50 g/mol
Exact Mass477.22
IUPAC Name6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1cn(C2CCNCC2)nc1C(F)(F)F)c1cnc2ccc(N[C@@H]3CCCNC3)nn12
InChIInChI=1S/C21H26F3N9O/c22-21(23,24)19-15(12-32(31-19)14-5-8-25-9-6-14)29-20(34)16-11-27-18-4-3-17(30-33(16)18)28-13-2-1-7-26-10-13/h3-4,11-14,25-26H,1-2,5-10H2,(H,28,30)(H,29,34)/t13-/m1/s1
InChIKeyRDEFHEGIVKDWLQ-CYBMUJFWSA-N
XLogP2.29
TPSA113.20 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 162676578) is 6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1cn(C2CCNCC2)nc1C(F)(F)F)c1cnc2ccc(N[C@@H]3CCCNC3)nn12.
What is the InChIKey of 6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is RDEFHEGIVKDWLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H26F3N9O/c22-21(23,24)19-15(12-32(31-19)14-5-8-25-9-6-14)29-20(34)16-11-27-18-4-3-17(30-33(16)18)28-13-2-1-7-26-10-13/h3-4,11-14,25-26H,1-2,5-10H2,(H,28,30)(H,29,34)/t13-/m1/s1.
What are the key properties of 6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-piperidin-3-yl]amino]-N-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162676578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).