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

C19H20N8S — CID 70982376

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4nccs4)nn23)C1
InChIInChI=1S/C19H20N8S/c20-13-2-1-8-26(12-13)17-5-6-21-11-16(17)24-19-23-10-14-3-4-15(25-27(14)19)18-22-7-9-28-18/h3-7,9-11,13H,1-2,8,12,20H2,(H,23,24)/t13-/m0/s1
InChIKeyBOYINUVWSRXXKU-ZDUSSCGKSA-N
MW392.49 g/mol
LogP2.92
Rot. Bonds4

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

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 70982376) has the molecular formula C19H20N8S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID70982376
Molecular FormulaC19H20N8S
Molecular Weight392.49 g/mol
Exact Mass392.15
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4nccs4)nn23)C1
InChIInChI=1S/C19H20N8S/c20-13-2-1-8-26(12-13)17-5-6-21-11-16(17)24-19-23-10-14-3-4-15(25-27(14)19)18-22-7-9-28-18/h3-7,9-11,13H,1-2,8,12,20H2,(H,23,24)/t13-/m0/s1
InChIKeyBOYINUVWSRXXKU-ZDUSSCGKSA-N
XLogP2.92
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine (CID 70982376) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine is N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4nccs4)nn23)C1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is BOYINUVWSRXXKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N8S/c20-13-2-1-8-26(12-13)17-5-6-21-11-16(17)24-19-23-10-14-3-4-15(25-27(14)19)18-22-7-9-28-18/h3-7,9-11,13H,1-2,8,12,20H2,(H,23,24)/t13-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine?
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 392.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 70982376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).