N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid

C21H22F3N5O3 — CID 171693397

IUPACN-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)CC1CN(Cc2ccc3ccccc3n2)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5O.C2HF3O2/c1-20-19(25)10-17-13-23(12-16-8-9-21-24(16)17)11-15-7-6-14-4-2-3-5-18(14)22-15;3-2(4,5)1(6)7/h2-9,17H,10-13H2,1H3,(H,20,25);(H,6,7)
InChIKeyPNMPKCUNKUWNLC-UHFFFAOYSA-N
MW449.43 g/mol
LogP2.76
Rot. Bonds4

About N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid

N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 171693397) has the molecular formula C21H22F3N5O3 and a molecular weight of 449.43 g/mol. Its IUPAC name is N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID171693397
Molecular FormulaC21H22F3N5O3
Molecular Weight449.43 g/mol
Exact Mass449.17
IUPAC NameN-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)CC1CN(Cc2ccc3ccccc3n2)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5O.C2HF3O2/c1-20-19(25)10-17-13-23(12-16-8-9-21-24(16)17)11-15-7-6-14-4-2-3-5-18(14)22-15;3-2(4,5)1(6)7/h2-9,17H,10-13H2,1H3,(H,20,25);(H,6,7)
InChIKeyPNMPKCUNKUWNLC-UHFFFAOYSA-N
XLogP2.76
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid (CID 171693397) is N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid is CNC(=O)CC1CN(Cc2ccc3ccccc3n2)Cc2ccnn21.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is PNMPKCUNKUWNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.C2HF3O2/c1-20-19(25)10-17-13-23(12-16-8-9-21-24(16)17)11-15-7-6-14-4-2-3-5-18(14)22-15;3-2(4,5)1(6)7/h2-9,17H,10-13H2,1H3,(H,20,25);(H,6,7).
What are the key properties of N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid?
N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 449.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171693397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).