N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine

C22H23FN8 — CID 71465328

IUPACN-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
SMILESC[C@@H]1CC[C@H](N)CN1c1ccncc1Nc1ncc2ccc(-c3ncccc3F)nn12
InChIInChI=1S/C22H23FN8/c1-14-4-5-15(24)13-30(14)20-8-10-25-12-19(20)28-22-27-11-16-6-7-18(29-31(16)22)21-17(23)3-2-9-26-21/h2-3,6-12,14-15H,4-5,13,24H2,1H3,(H,27,28)/t14-,15+/m1/s1
InChIKeyKLGUOFQVXLDGTK-CABCVRRESA-N
MW418.48 g/mol
LogP3.38
Rot. Bonds4

About N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine

N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 71465328) has the molecular formula C22H23FN8 and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID71465328
Molecular FormulaC22H23FN8
Molecular Weight418.48 g/mol
Exact Mass418.20
IUPAC NameN-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
SMILESC[C@@H]1CC[C@H](N)CN1c1ccncc1Nc1ncc2ccc(-c3ncccc3F)nn12
InChIInChI=1S/C22H23FN8/c1-14-4-5-15(24)13-30(14)20-8-10-25-12-19(20)28-22-27-11-16-6-7-18(29-31(16)22)21-17(23)3-2-9-26-21/h2-3,6-12,14-15H,4-5,13,24H2,1H3,(H,27,28)/t14-,15+/m1/s1
InChIKeyKLGUOFQVXLDGTK-CABCVRRESA-N
XLogP3.38
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine (CID 71465328) is N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine is C[C@@H]1CC[C@H](N)CN1c1ccncc1Nc1ncc2ccc(-c3ncccc3F)nn12.
What is the InChIKey of N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is KLGUOFQVXLDGTK-CABCVRRESA-N. The full InChI is InChI=1S/C22H23FN8/c1-14-4-5-15(24)13-30(14)20-8-10-25-12-19(20)28-22-27-11-16-6-7-18(29-31(16)22)21-17(23)3-2-9-26-21/h2-3,6-12,14-15H,4-5,13,24H2,1H3,(H,27,28)/t14-,15+/m1/s1.
What are the key properties of N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 418.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 71465328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).