4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

C29H27FN10O — CID 135241475

IUPAC4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(C(=O)C(CN)c5ccc(F)cc5)CC4)nc3)n2)cn1
InChIInChI=1S/C29H27FN10O/c1-37-17-22(16-34-37)25-18-40-28(21(12-31)15-35-40)27(36-25)20-4-7-26(33-14-20)38-8-10-39(11-9-38)29(41)24(13-32)19-2-5-23(30)6-3-19/h2-7,14-18,24H,8-11,13,32H2,1H3
InChIKeyXJVBVNPOZDGSOH-UHFFFAOYSA-N
MW550.60 g/mol
LogP2.59
Rot. Bonds6

About 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 135241475) has the molecular formula C29H27FN10O and a molecular weight of 550.60 g/mol. Its IUPAC name is 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID135241475
Molecular FormulaC29H27FN10O
Molecular Weight550.60 g/mol
Exact Mass550.24
IUPAC Name4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(C(=O)C(CN)c5ccc(F)cc5)CC4)nc3)n2)cn1
InChIInChI=1S/C29H27FN10O/c1-37-17-22(16-34-37)25-18-40-28(21(12-31)15-35-40)27(36-25)20-4-7-26(33-14-20)38-8-10-39(11-9-38)29(41)24(13-32)19-2-5-23(30)6-3-19/h2-7,14-18,24H,8-11,13,32H2,1H3
InChIKeyXJVBVNPOZDGSOH-UHFFFAOYSA-N
XLogP2.59
TPSA134.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.60
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 135241475) is 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(C(=O)C(CN)c5ccc(F)cc5)CC4)nc3)n2)cn1.
What is the InChIKey of 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is XJVBVNPOZDGSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN10O/c1-37-17-22(16-34-37)25-18-40-28(21(12-31)15-35-40)27(36-25)20-4-7-26(33-14-20)38-8-10-39(11-9-38)29(41)24(13-32)19-2-5-23(30)6-3-19/h2-7,14-18,24H,8-11,13,32H2,1H3.
What are the key properties of 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 550.60 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 135241475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).