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

C28H24ClFN10O — CID 135241333

IUPAC4-[6-[4-[2-amino-2-(3-chloro-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(N)c5ccc(F)c(Cl)c5)CC4)nc3)n2)cn1
InChIInChI=1S/C28H24ClFN10O/c1-37-15-20(14-34-37)23-16-40-27(19(11-31)13-35-40)26(36-23)18-3-5-24(33-12-18)38-6-8-39(9-7-38)28(41)25(32)17-2-4-22(30)21(29)10-17/h2-5,10,12-16,25H,6-9,32H2,1H3
InChIKeyBFWVUFMHMHQLNK-UHFFFAOYSA-N
MW571.02 g/mol
LogP3.20
Rot. Bonds5

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

4-[6-[4-[2-amino-2-(3-chloro-4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 135241333) has the molecular formula C28H24ClFN10O and a molecular weight of 571.02 g/mol. Its IUPAC name is 4-[6-[4-[2-amino-2-(3-chloro-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-[2-amino-2-(3-chloro-4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID135241333
Molecular FormulaC28H24ClFN10O
Molecular Weight571.02 g/mol
Exact Mass570.18
IUPAC Name4-[6-[4-[2-amino-2-(3-chloro-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(N)c5ccc(F)c(Cl)c5)CC4)nc3)n2)cn1
InChIInChI=1S/C28H24ClFN10O/c1-37-15-20(14-34-37)23-16-40-27(19(11-31)13-35-40)26(36-23)18-3-5-24(33-12-18)38-6-8-39(9-7-38)28(41)25(32)17-2-4-22(30)21(29)10-17/h2-5,10,12-16,25H,6-9,32H2,1H3
InChIKeyBFWVUFMHMHQLNK-UHFFFAOYSA-N
XLogP3.20
TPSA134.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.02
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[4-[2-amino-2-(3-chloro-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-[2-amino-2-(3-chloro-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-[2-amino-2-(3-chloro-4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 135241333) is 4-[6-[4-[2-amino-2-(3-chloro-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-[2-amino-2-(3-chloro-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-[2-amino-2-(3-chloro-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(N)c5ccc(F)c(Cl)c5)CC4)nc3)n2)cn1.
What is the InChIKey of 4-[6-[4-[2-amino-2-(3-chloro-4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is BFWVUFMHMHQLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN10O/c1-37-15-20(14-34-37)23-16-40-27(19(11-31)13-35-40)26(36-23)18-3-5-24(33-12-18)38-6-8-39(9-7-38)28(41)25(32)17-2-4-22(30)21(29)10-17/h2-5,10,12-16,25H,6-9,32H2,1H3.
What are the key properties of 4-[6-[4-[2-amino-2-(3-chloro-4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[4-[2-amino-2-(3-chloro-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 571.02 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-amino-2-(3-chloro-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 135241333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).