2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine

C23H23F2N7 — CID 71007292

IUPAC2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
SMILESCN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1
InChIInChI=1S/C23H23F2N7/c1-26-15-4-3-11-31(14-15)21-9-10-27-13-20(21)29-23-28-12-16-7-8-19(30-32(16)23)22-17(24)5-2-6-18(22)25/h2,5-10,12-13,15,26H,3-4,11,14H2,1H3,(H,28,29)/t15-/m0/s1
InChIKeyAPHDIFQMSHEHKR-HNNXBMFYSA-N
MW435.48 g/mol
LogP4.00
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine

2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (PubChem CID 71007292) has the molecular formula C23H23F2N7 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
PubChem CID71007292
Molecular FormulaC23H23F2N7
Molecular Weight435.48 g/mol
Exact Mass435.20
IUPAC Name2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
SMILESCN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1
InChIInChI=1S/C23H23F2N7/c1-26-15-4-3-11-31(14-15)21-9-10-27-13-20(21)29-23-28-12-16-7-8-19(30-32(16)23)22-17(24)5-2-6-18(22)25/h2,5-10,12-13,15,26H,3-4,11,14H2,1H3,(H,28,29)/t15-/m0/s1
InChIKeyAPHDIFQMSHEHKR-HNNXBMFYSA-N
XLogP4.00
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (CID 71007292) is 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is CN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is APHDIFQMSHEHKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23F2N7/c1-26-15-4-3-11-31(14-15)21-9-10-27-13-20(21)29-23-28-12-16-7-8-19(30-32(16)23)22-17(24)5-2-6-18(22)25/h2,5-10,12-13,15,26H,3-4,11,14H2,1H3,(H,28,29)/t15-/m0/s1.
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 435.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 71007292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).