trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

C25H23ClN6O — CID 165134136

IUPACtrans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(NCc2cn3nc(C4CC4)ccc3n2)ccn1)[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C25H23ClN6O/c26-17-3-1-2-16(10-17)20-12-21(20)25(33)30-23-11-18(8-9-27-23)28-13-19-14-32-24(29-19)7-6-22(31-32)15-4-5-15/h1-3,6-11,14-15,20-21H,4-5,12-13H2,(H2,27,28,30,33)/t20-,21+/m1/s1
InChIKeyLYIXKHXSINDYBL-RTWAWAEBSA-N
MW458.95 g/mol
LogP5.01
Rot. Bonds7

About trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 165134136) has the molecular formula C25H23ClN6O and a molecular weight of 458.95 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID165134136
Molecular FormulaC25H23ClN6O
Molecular Weight458.95 g/mol
Exact Mass458.16
IUPAC Nametrans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(NCc2cn3nc(C4CC4)ccc3n2)ccn1)[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C25H23ClN6O/c26-17-3-1-2-16(10-17)20-12-21(20)25(33)30-23-11-18(8-9-27-23)28-13-19-14-32-24(29-19)7-6-22(31-32)15-4-5-15/h1-3,6-11,14-15,20-21H,4-5,12-13H2,(H2,27,28,30,33)/t20-,21+/m1/s1
InChIKeyLYIXKHXSINDYBL-RTWAWAEBSA-N
XLogP5.01
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (CID 165134136) is trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1cc(NCc2cn3nc(C4CC4)ccc3n2)ccn1)[C@H]1C[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is LYIXKHXSINDYBL-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H23ClN6O/c26-17-3-1-2-16(10-17)20-12-21(20)25(33)30-23-11-18(8-9-27-23)28-13-19-14-32-24(29-19)7-6-22(31-32)15-4-5-15/h1-3,6-11,14-15,20-21H,4-5,12-13H2,(H2,27,28,30,33)/t20-,21+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165134136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).