5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine

C16H11ClFN7 — CID 53375189

IUPAC5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine
SMILESFc1ccc(CNc2nc(-c3cnn4ccncc34)ncc2Cl)nc1
InChIInChI=1S/C16H11ClFN7/c17-13-8-22-15(12-7-23-25-4-3-19-9-14(12)25)24-16(13)21-6-11-2-1-10(18)5-20-11/h1-5,7-9H,6H2,(H,21,22,24)
InChIKeyNIGZAJOBDCXDTR-UHFFFAOYSA-N
MW355.76 g/mol
LogP2.99
Rot. Bonds4

About 5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine

5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine (PubChem CID 53375189) has the molecular formula C16H11ClFN7 and a molecular weight of 355.76 g/mol. Its IUPAC name is 5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine
PubChem CID53375189
Molecular FormulaC16H11ClFN7
Molecular Weight355.76 g/mol
Exact Mass355.07
IUPAC Name5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine
SMILESFc1ccc(CNc2nc(-c3cnn4ccncc34)ncc2Cl)nc1
InChIInChI=1S/C16H11ClFN7/c17-13-8-22-15(12-7-23-25-4-3-19-9-14(12)25)24-16(13)21-6-11-2-1-10(18)5-20-11/h1-5,7-9H,6H2,(H,21,22,24)
InChIKeyNIGZAJOBDCXDTR-UHFFFAOYSA-N
XLogP2.99
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine (CID 53375189) is 5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine is Fc1ccc(CNc2nc(-c3cnn4ccncc34)ncc2Cl)nc1.
What is the InChIKey of 5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine?
The InChIKey is NIGZAJOBDCXDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN7/c17-13-8-22-15(12-7-23-25-4-3-19-9-14(12)25)24-16(13)21-6-11-2-1-10(18)5-20-11/h1-5,7-9H,6H2,(H,21,22,24).
What are the key properties of 5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine?
5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine has a molecular weight of 355.76 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-fluoro-2-pyridinyl)methyl]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 53375189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).