3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine

C26H29FN8 — CID 66549110

IUPAC3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1cccnc1Nc1ccc(-c2cnc3ccc(NC4CCC(N5CCCC5)CC4)nn23)cn1
InChIInChI=1S/C26H29FN8/c27-21-4-3-13-28-26(21)32-23-10-5-18(16-29-23)22-17-30-25-12-11-24(33-35(22)25)31-19-6-8-20(9-7-19)34-14-1-2-15-34/h3-5,10-13,16-17,19-20H,1-2,6-9,14-15H2,(H,31,33)(H,28,29,32)
InChIKeyBKHGOHIVUJFLOH-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.89
Rot. Bonds6

About 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine

3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66549110) has the molecular formula C26H29FN8 and a molecular weight of 472.57 g/mol. Its IUPAC name is 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID66549110
Molecular FormulaC26H29FN8
Molecular Weight472.57 g/mol
Exact Mass472.25
IUPAC Name3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1cccnc1Nc1ccc(-c2cnc3ccc(NC4CCC(N5CCCC5)CC4)nn23)cn1
InChIInChI=1S/C26H29FN8/c27-21-4-3-13-28-26(21)32-23-10-5-18(16-29-23)22-17-30-25-12-11-24(33-35(22)25)31-19-6-8-20(9-7-19)34-14-1-2-15-34/h3-5,10-13,16-17,19-20H,1-2,6-9,14-15H2,(H,31,33)(H,28,29,32)
InChIKeyBKHGOHIVUJFLOH-UHFFFAOYSA-N
XLogP4.89
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine (CID 66549110) is 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine is Fc1cccnc1Nc1ccc(-c2cnc3ccc(NC4CCC(N5CCCC5)CC4)nn23)cn1.
What is the InChIKey of 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is BKHGOHIVUJFLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8/c27-21-4-3-13-28-26(21)32-23-10-5-18(16-29-23)22-17-30-25-12-11-24(33-35(22)25)31-19-6-8-20(9-7-19)34-14-1-2-15-34/h3-5,10-13,16-17,19-20H,1-2,6-9,14-15H2,(H,31,33)(H,28,29,32).
What are the key properties of 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine?
3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 472.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66549110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).