N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H27FN4O2 — CID 42370493

IUPACN-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(c1cnn2cccnc12)N(Cc1ccc(OCCc2ccccc2F)cc1)C1CCCC1
InChIInChI=1S/C27H27FN4O2/c28-25-9-4-1-6-21(25)14-17-34-23-12-10-20(11-13-23)19-31(22-7-2-3-8-22)27(33)24-18-30-32-16-5-15-29-26(24)32/h1,4-6,9-13,15-16,18,22H,2-3,7-8,14,17,19H2
InChIKeyJGSNYWWRSVAMGS-UHFFFAOYSA-N
MW458.54 g/mol
LogP5.07
Rot. Bonds8

About N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 42370493) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID42370493
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC NameN-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(c1cnn2cccnc12)N(Cc1ccc(OCCc2ccccc2F)cc1)C1CCCC1
InChIInChI=1S/C27H27FN4O2/c28-25-9-4-1-6-21(25)14-17-34-23-12-10-20(11-13-23)19-31(22-7-2-3-8-22)27(33)24-18-30-32-16-5-15-29-26(24)32/h1,4-6,9-13,15-16,18,22H,2-3,7-8,14,17,19H2
InChIKeyJGSNYWWRSVAMGS-UHFFFAOYSA-N
XLogP5.07
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 42370493) is N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(c1cnn2cccnc12)N(Cc1ccc(OCCc2ccccc2F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JGSNYWWRSVAMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c28-25-9-4-1-6-21(25)14-17-34-23-12-10-20(11-13-23)19-31(22-7-2-3-8-22)27(33)24-18-30-32-16-5-15-29-26(24)32/h1,4-6,9-13,15-16,18,22H,2-3,7-8,14,17,19H2.
What are the key properties of N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[4-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42370493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).