N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine

C23H22F2N6 — CID 71007342

IUPACN-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccccc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1
InChIInChI=1S/C23H22F2N6/c24-17-6-3-7-18(25)22(17)20-11-10-16-13-27-23(31(16)29-20)28-19-8-1-2-9-21(19)30-12-4-5-15(26)14-30/h1-3,6-11,13,15H,4-5,12,14,26H2,(H,27,28)/t15-/m0/s1
InChIKeyLWXHKBKAMIELTQ-HNNXBMFYSA-N
MW420.47 g/mol
LogP4.35
Rot. Bonds4

About N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine

N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 71007342) has the molecular formula C23H22F2N6 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID71007342
Molecular FormulaC23H22F2N6
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccccc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1
InChIInChI=1S/C23H22F2N6/c24-17-6-3-7-18(25)22(17)20-11-10-16-13-27-23(31(16)29-20)28-19-8-1-2-9-21(19)30-12-4-5-15(26)14-30/h1-3,6-11,13,15H,4-5,12,14,26H2,(H,27,28)/t15-/m0/s1
InChIKeyLWXHKBKAMIELTQ-HNNXBMFYSA-N
XLogP4.35
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine (CID 71007342) is N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine is N[C@H]1CCCN(c2ccccc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1.
What is the InChIKey of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is LWXHKBKAMIELTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22F2N6/c24-17-6-3-7-18(25)22(17)20-11-10-16-13-27-23(31(16)29-20)28-19-8-1-2-9-21(19)30-12-4-5-15(26)14-30/h1-3,6-11,13,15H,4-5,12,14,26H2,(H,27,28)/t15-/m0/s1.
What are the key properties of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 420.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 71007342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).