6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H31N9O — CID 174075663

About 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 174075663) has the molecular formula C30H31N9O and a molecular weight of 533.64 g/mol. Its IUPAC name is 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 174075663
• Molecular Formula: C30H31N9O
• Molecular Weight: 533.64 g/mol
• Exact Mass: 533.27
• IUPAC Name: 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2CCN(c3ccc(-c4cc(C(N)=CC5=NCCC5)cn5ncc(C#N)c45)cn3)CC2)cn1
• InChI: InChI=1S/C30H31N9O/c1-40-29-7-4-21(16-35-29)19-37-9-11-38(12-10-37)28-6-5-22(17-34-28)26-13-23(27(32)14-25-3-2-8-33-25)20-39-30(26)24(15-31)18-36-39/h4-7,13-14,16-18,20H,2-3,8-12,19,32H2,1H3
• InChIKey: BZCCRWRCLAAFTE-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 120.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.64
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 174075663) is 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4cc(C(N)=CC5=NCCC5)cn5ncc(C#N)c45)cn3)CC2)cn1.

What is the InChIKey of 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is BZCCRWRCLAAFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N9O/c1-40-29-7-4-21(16-35-29)19-37-9-11-38(12-10-37)28-6-5-22(17-34-28)26-13-23(27(32)14-25-3-2-8-33-25)20-39-30(26)24(15-31)18-36-39/h4-7,13-14,16-18,20H,2-3,8-12,19,32H2,1H3.

What are the key properties of 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 533.64 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 174075663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).