N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide

C21H23N5O — CID 124793121

IUPACN-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
SMILESO=C(C[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21)NC1CC1
InChIInChI=1S/C21H23N5O/c27-21(24-16-7-8-16)11-19-14-25(13-18-9-10-22-26(18)19)12-17-6-5-15-3-1-2-4-20(15)23-17/h1-6,9-10,16,19H,7-8,11-14H2,(H,24,27)/t19-/m0/s1
InChIKeyMDFRATHQKXGGEF-IBGZPJMESA-N
MW361.45 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide

N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide (PubChem CID 124793121) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
PubChem CID124793121
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
SMILESO=C(C[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21)NC1CC1
InChIInChI=1S/C21H23N5O/c27-21(24-16-7-8-16)11-19-14-25(13-18-9-10-22-26(18)19)12-17-6-5-15-3-1-2-4-20(15)23-17/h1-6,9-10,16,19H,7-8,11-14H2,(H,24,27)/t19-/m0/s1
InChIKeyMDFRATHQKXGGEF-IBGZPJMESA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-cyclobutyl-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155863120
N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677306
N-cyclopropyl-2-(quinolin-2-ylmethylamino)acetamide
CID 43401916
N-methyl-2-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 171694951
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272
N-cyclobutyl-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155863742
[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 154457782
N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42095769
N-(cyclopropylmethyl)-2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131641559
N-methyl-2-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677523
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide (CID 124793121) is N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide is O=C(C[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The InChIKey is MDFRATHQKXGGEF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(24-16-7-8-16)11-19-14-25(13-18-9-10-22-26(18)19)12-17-6-5-15-3-1-2-4-20(15)23-17/h1-6,9-10,16,19H,7-8,11-14H2,(H,24,27)/t19-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(7S)-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 124793121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).