4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine

C18H19F2N7 — CID 166605280

IUPAC4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
SMILESCc1nc(N2CCN(Cc3c(F)cncc3F)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C18H19F2N7/c1-13-23-17(9-18(24-13)27-4-2-3-22-27)26-7-5-25(6-8-26)12-14-15(19)10-21-11-16(14)20/h2-4,9-11H,5-8,12H2,1H3
InChIKeyGAYJFAYTTRBIDD-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.97
Rot. Bonds4

About 4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine

4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine (PubChem CID 166605280) has the molecular formula C18H19F2N7 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
PubChem CID166605280
Molecular FormulaC18H19F2N7
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
SMILESCc1nc(N2CCN(Cc3c(F)cncc3F)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C18H19F2N7/c1-13-23-17(9-18(24-13)27-4-2-3-22-27)26-7-5-25(6-8-26)12-14-15(19)10-21-11-16(14)20/h2-4,9-11H,5-8,12H2,1H3
InChIKeyGAYJFAYTTRBIDD-UHFFFAOYSA-N
XLogP1.97
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine (CID 166605280) is 4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine is Cc1nc(N2CCN(Cc3c(F)cncc3F)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The InChIKey is GAYJFAYTTRBIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7/c1-13-23-17(9-18(24-13)27-4-2-3-22-27)26-7-5-25(6-8-26)12-14-15(19)10-21-11-16(14)20/h2-4,9-11H,5-8,12H2,1H3.
What are the key properties of 4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine has a molecular weight of 371.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 166605280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).