2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)

C24H29F6N5O5 — CID 155836241

IUPAC2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(CC1CN(C2CCCC2)Cc2ccnn21)NCCc1ccncc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H27N5O.2C2HF3O2/c26-20(22-11-7-16-5-9-21-10-6-16)13-19-15-24(17-3-1-2-4-17)14-18-8-12-23-25(18)19;2*3-2(4,5)1(6)7/h5-6,8-10,12,17,19H,1-4,7,11,13-15H2,(H,22,26);2*(H,6,7)
InChIKeyOKYLHESXEPOATH-UHFFFAOYSA-N
MW581.51 g/mol
LogP3.59
Rot. Bonds6

About 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)

2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155836241) has the molecular formula C24H29F6N5O5 and a molecular weight of 581.51 g/mol. Its IUPAC name is 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID155836241
Molecular FormulaC24H29F6N5O5
Molecular Weight581.51 g/mol
Exact Mass581.21
IUPAC Name2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(CC1CN(C2CCCC2)Cc2ccnn21)NCCc1ccncc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H27N5O.2C2HF3O2/c26-20(22-11-7-16-5-9-21-10-6-16)13-19-15-24(17-3-1-2-4-17)14-18-8-12-23-25(18)19;2*3-2(4,5)1(6)7/h5-6,8-10,12,17,19H,1-4,7,11,13-15H2,(H,22,26);2*(H,6,7)
InChIKeyOKYLHESXEPOATH-UHFFFAOYSA-N
XLogP3.59
TPSA137.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.51
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

2-[(7R)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 124791578
2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155854390
2-(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155859328
5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155826068
5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171693010
N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155832503
2-[(7R)-5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 124793453
5-(oxan-4-yl)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155830284
N-[2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]pyridine-3-carboxamide
CID 131677870
2-[(7R)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-morpholin-4-ylethanone
CID 124790894
N-methyl-2-[5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155860747
2-[5-[(4-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155861975

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) (CID 155836241) is 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) is O=C(CC1CN(C2CCCC2)Cc2ccnn21)NCCc1ccncc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is OKYLHESXEPOATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O.2C2HF3O2/c26-20(22-11-7-16-5-9-21-10-6-16)13-19-15-24(17-3-1-2-4-17)14-18-8-12-23-25(18)19;2*3-2(4,5)1(6)7/h5-6,8-10,12,17,19H,1-4,7,11,13-15H2,(H,22,26);2*(H,6,7).
What are the key properties of 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 581.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155836241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).