N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine

C26H28FN7 — CID 10151662

IUPACN-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nn3c(N4CCCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C26H28FN7/c27-19-10-8-18(9-11-19)24-23(21-12-14-28-25(31-21)30-20-6-2-3-7-20)22-13-15-29-26(34(22)32-24)33-16-4-1-5-17-33/h8-15,20H,1-7,16-17H2,(H,28,30,31)
InChIKeyRYDARGBCZFRFEM-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.34
Rot. Bonds5

About N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine

N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine (PubChem CID 10151662) has the molecular formula C26H28FN7 and a molecular weight of 457.56 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine
PubChem CID10151662
Molecular FormulaC26H28FN7
Molecular Weight457.56 g/mol
Exact Mass457.24
IUPAC NameN-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nn3c(N4CCCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C26H28FN7/c27-19-10-8-18(9-11-19)24-23(21-12-14-28-25(31-21)30-20-6-2-3-7-20)22-13-15-29-26(34(22)32-24)33-16-4-1-5-17-33/h8-15,20H,1-7,16-17H2,(H,28,30,31)
InChIKeyRYDARGBCZFRFEM-UHFFFAOYSA-N
XLogP5.34
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine (CID 10151662) is N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine is Fc1ccc(-c2nn3c(N4CCCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine?
The InChIKey is RYDARGBCZFRFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7/c27-19-10-8-18(9-11-19)24-23(21-12-14-28-25(31-21)30-20-6-2-3-7-20)22-13-15-29-26(34(22)32-24)33-16-4-1-5-17-33/h8-15,20H,1-7,16-17H2,(H,28,30,31).
What are the key properties of N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine has a molecular weight of 457.56 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10151662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).