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

C28H25FN10O — CID 135241849

IUPAC4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]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@H](N)c5ccc(F)cc5)CC4)nc3)n2)cn1
InChIInChI=1S/C28H25FN10O/c1-36-16-21(15-33-36)23-17-39-27(20(12-30)14-34-39)26(35-23)19-4-7-24(32-13-19)37-8-10-38(11-9-37)28(40)25(31)18-2-5-22(29)6-3-18/h2-7,13-17,25H,8-11,31H2,1H3/t25-/m1/s1
InChIKeyJFGBHZYXRAXBSP-RUZDIDTESA-N
MW536.58 g/mol
LogP2.55
Rot. Bonds5

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

4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 135241849) has the molecular formula C28H25FN10O and a molecular weight of 536.58 g/mol. Its IUPAC name is 4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID135241849
Molecular FormulaC28H25FN10O
Molecular Weight536.58 g/mol
Exact Mass536.22
IUPAC Name4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]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@H](N)c5ccc(F)cc5)CC4)nc3)n2)cn1
InChIInChI=1S/C28H25FN10O/c1-36-16-21(15-33-36)23-17-39-27(20(12-30)14-34-39)26(35-23)19-4-7-24(32-13-19)37-8-10-38(11-9-37)28(40)25(31)18-2-5-22(29)6-3-18/h2-7,13-17,25H,8-11,31H2,1H3/t25-/m1/s1
InChIKeyJFGBHZYXRAXBSP-RUZDIDTESA-N
XLogP2.55
TPSA134.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.58
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]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-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 135241849) is 4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]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-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]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@H](N)c5ccc(F)cc5)CC4)nc3)n2)cn1.
What is the InChIKey of 4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is JFGBHZYXRAXBSP-RUZDIDTESA-N. The full InChI is InChI=1S/C28H25FN10O/c1-36-16-21(15-33-36)23-17-39-27(20(12-30)14-34-39)26(35-23)19-4-7-24(32-13-19)37-8-10-38(11-9-37)28(40)25(31)18-2-5-22(29)6-3-18/h2-7,13-17,25H,8-11,31H2,1H3/t25-/m1/s1.
What are the key properties of 4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 536.58 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(2R)-2-amino-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 135241849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).