N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

C31H35N9O — CID 155587716

About N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 155587716) has the molecular formula C31H35N9O and a molecular weight of 549.68 g/mol. Its IUPAC name is N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
• PubChem CID: 155587716
• Molecular Formula: C31H35N9O
• Molecular Weight: 549.68 g/mol
• Exact Mass: 549.30
• IUPAC Name: N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
• SMILES: Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(CCN6CCN(C7COC7)CC6)ccn45)ncn3)cc2)cn1
• InChI: InChI=1S/C31H35N9O/c1-37-19-26(17-36-37)25-4-2-24(3-5-25)16-32-30-15-28(34-22-35-30)29-18-33-31-14-23(7-9-40(29)31)6-8-38-10-12-39(13-11-38)27-20-41-21-27/h2-5,7,9,14-15,17-19,22,27H,6,8,10-13,16,20-21H2,1H3,(H,32,34,35)
• InChIKey: FGAGVPNKOYGOFR-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 88.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.68
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

The IUPAC name of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 155587716) is N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

What is the SMILES notation for N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

The canonical SMILES for N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(CCN6CCN(C7COC7)CC6)ccn45)ncn3)cc2)cn1.

What is the InChIKey of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

The InChIKey is FGAGVPNKOYGOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N9O/c1-37-19-26(17-36-37)25-4-2-24(3-5-25)16-32-30-15-28(34-22-35-30)29-18-33-31-14-23(7-9-40(29)31)6-8-38-10-12-39(13-11-38)27-20-41-21-27/h2-5,7,9,14-15,17-19,22,27H,6,8,10-13,16,20-21H2,1H3,(H,32,34,35).

What are the key properties of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 549.68 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 155587716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).