1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine

C26H29N5O2 — CID 163636070

About 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine

1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine (PubChem CID 163636070) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
• PubChem CID: 163636070
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
• SMILES: CC1(COc2ccn3c(-c4ccc5cccc(N6CCC(N)CC6)c5n4)cnc3c2)COC1
• InChI: InChI=1S/C26H29N5O2/c1-26(15-32-16-26)17-33-20-9-12-31-23(14-28-24(31)13-20)21-6-5-18-3-2-4-22(25(18)29-21)30-10-7-19(27)8-11-30/h2-6,9,12-14,19H,7-8,10-11,15-17,27H2,1H3
• InChIKey: IAEXDSCHPNJWQJ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 77.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine?

The IUPAC name of 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine (CID 163636070) is 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine.

What is the SMILES notation for 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine?

The canonical SMILES for 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine is CC1(COc2ccn3c(-c4ccc5cccc(N6CCC(N)CC6)c5n4)cnc3c2)COC1.

What is the InChIKey of 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine?

The InChIKey is IAEXDSCHPNJWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-26(15-32-16-26)17-33-20-9-12-31-23(14-28-24(31)13-20)21-6-5-18-3-2-4-22(25(18)29-21)30-10-7-19(27)8-11-30/h2-6,9,12-14,19H,7-8,10-11,15-17,27H2,1H3.

What are the key properties of 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine?

1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine has a molecular weight of 443.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine is sourced from PubChem (CID 163636070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).