N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

C18H18F2N6O — CID 75474205

IUPACN-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1C1CCCN(c2ncnc3cc(F)c(F)cc23)C1
InChIInChI=1S/C18H18F2N6O/c1-10(27)24-16-7-23-25-17(16)11-3-2-4-26(8-11)18-12-5-13(19)14(20)6-15(12)21-9-22-18/h5-7,9,11H,2-4,8H2,1H3,(H,23,25)(H,24,27)
InChIKeyOJBKRRCEFLVZKB-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.97
Rot. Bonds3

About N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (PubChem CID 75474205) has the molecular formula C18H18F2N6O and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
PubChem CID75474205
Molecular FormulaC18H18F2N6O
Molecular Weight372.38 g/mol
Exact Mass372.15
IUPAC NameN-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1C1CCCN(c2ncnc3cc(F)c(F)cc23)C1
InChIInChI=1S/C18H18F2N6O/c1-10(27)24-16-7-23-25-17(16)11-3-2-4-26(8-11)18-12-5-13(19)14(20)6-15(12)21-9-22-18/h5-7,9,11H,2-4,8H2,1H3,(H,23,25)(H,24,27)
InChIKeyOJBKRRCEFLVZKB-UHFFFAOYSA-N
XLogP2.97
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (CID 75474205) is N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is CC(=O)Nc1cn[nH]c1C1CCCN(c2ncnc3cc(F)c(F)cc23)C1.
What is the InChIKey of N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The InChIKey is OJBKRRCEFLVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O/c1-10(27)24-16-7-23-25-17(16)11-3-2-4-26(8-11)18-12-5-13(19)14(20)6-15(12)21-9-22-18/h5-7,9,11H,2-4,8H2,1H3,(H,23,25)(H,24,27).
What are the key properties of N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide has a molecular weight of 372.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 75474205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).