N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine

C20H21N9 — CID 66550306

IUPACN-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(Nc2ncc(-c3cnc4ccc(NC5CCNCC5)nn34)cn2)nc1
InChIInChI=1S/C20H21N9/c1-2-8-22-17(3-1)27-20-24-11-14(12-25-20)16-13-23-19-5-4-18(28-29(16)19)26-15-6-9-21-10-7-15/h1-5,8,11-13,15,21H,6-7,9-10H2,(H,26,28)(H,22,24,25,27)
InChIKeyQAPQRDBZAZEZTE-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.49
Rot. Bonds5

About N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine

N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66550306) has the molecular formula C20H21N9 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID66550306
Molecular FormulaC20H21N9
Molecular Weight387.45 g/mol
Exact Mass387.19
IUPAC NameN-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(Nc2ncc(-c3cnc4ccc(NC5CCNCC5)nn34)cn2)nc1
InChIInChI=1S/C20H21N9/c1-2-8-22-17(3-1)27-20-24-11-14(12-25-20)16-13-23-19-5-4-18(28-29(16)19)26-15-6-9-21-10-7-15/h1-5,8,11-13,15,21H,6-7,9-10H2,(H,26,28)(H,22,24,25,27)
InChIKeyQAPQRDBZAZEZTE-UHFFFAOYSA-N
XLogP2.49
TPSA104.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine (CID 66550306) is N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine is c1ccc(Nc2ncc(-c3cnc4ccc(NC5CCNCC5)nn34)cn2)nc1.
What is the InChIKey of N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is QAPQRDBZAZEZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9/c1-2-8-22-17(3-1)27-20-24-11-14(12-25-20)16-13-23-19-5-4-18(28-29(16)19)26-15-6-9-21-10-7-15/h1-5,8,11-13,15,21H,6-7,9-10H2,(H,26,28)(H,22,24,25,27).
What are the key properties of N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine?
N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 387.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66550306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).