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

C21H21FN8 — CID 71007248

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ncccc4F)nn23)C1
InChIInChI=1S/C21H21FN8/c22-16-4-1-8-25-20(16)17-6-5-15-11-26-21(30(15)28-17)27-18-12-24-9-7-19(18)29-10-2-3-14(23)13-29/h1,4-9,11-12,14H,2-3,10,13,23H2,(H,26,27)/t14-/m0/s1
InChIKeyDQTHXAXXKAPXNF-AWEZNQCLSA-N
MW404.45 g/mol
LogP3.00
Rot. Bonds4

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

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 71007248) has the molecular formula C21H21FN8 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID71007248
Molecular FormulaC21H21FN8
Molecular Weight404.45 g/mol
Exact Mass404.19
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ncccc4F)nn23)C1
InChIInChI=1S/C21H21FN8/c22-16-4-1-8-25-20(16)17-6-5-15-11-26-21(30(15)28-17)27-18-12-24-9-7-19(18)29-10-2-3-14(23)13-29/h1,4-9,11-12,14H,2-3,10,13,23H2,(H,26,27)/t14-/m0/s1
InChIKeyDQTHXAXXKAPXNF-AWEZNQCLSA-N
XLogP3.00
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine with MolForge

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Related Compounds

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2-(1,1-Difluoroethyl)-5-Methyl-N-[6-(Trifluoromethyl)pyridin-3-Yl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
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6-(6-Ethynylpyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
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Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
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{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
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(R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine (CID 71007248) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine is N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ncccc4F)nn23)C1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is DQTHXAXXKAPXNF-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21FN8/c22-16-4-1-8-25-20(16)17-6-5-15-11-26-21(30(15)28-17)27-18-12-24-9-7-19(18)29-10-2-3-14(23)13-29/h1,4-9,11-12,14H,2-3,10,13,23H2,(H,26,27)/t14-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 404.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 71007248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).