4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine

C26H31N9O2 — CID 155281980

About 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine

4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 155281980) has the molecular formula C26H31N9O2 and a molecular weight of 501.60 g/mol. Its IUPAC name is 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 155281980
• Molecular Formula: C26H31N9O2
• Molecular Weight: 501.60 g/mol
• Exact Mass: 501.26
• IUPAC Name: 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine
• SMILES: COc1nc(-c2ccnc(Nc3ccc(N4CCN(C5COC5)CC4)cn3)n2)cc2c1ncn2C(C)C
• InChI: InChI=1S/C26H31N9O2/c1-17(2)35-16-29-24-22(35)12-21(30-25(24)36-3)20-6-7-27-26(31-20)32-23-5-4-18(13-28-23)33-8-10-34(11-9-33)19-14-37-15-19/h4-7,12-13,16-17,19H,8-11,14-15H2,1-3H3,(H,27,28,31,32)
• InChIKey: JYLZNGIFPMSBBR-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 106.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.60
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine (CID 155281980) is 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine is COc1nc(-c2ccnc(Nc3ccc(N4CCN(C5COC5)CC4)cn3)n2)cc2c1ncn2C(C)C.

What is the InChIKey of 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is JYLZNGIFPMSBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O2/c1-17(2)35-16-29-24-22(35)12-21(30-25(24)36-3)20-6-7-27-26(31-20)32-23-5-4-18(13-28-23)33-8-10-34(11-9-33)19-14-37-15-19/h4-7,12-13,16-17,19H,8-11,14-15H2,1-3H3,(H,27,28,31,32).

What are the key properties of 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine?

4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 501.60 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 155281980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).