N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide

C21H25N5O — CID 124782247

IUPACN-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21)C1CC1
InChIInChI=1S/C21H25N5O/c27-21(15-4-5-15)23-9-6-17-13-25(14-18-7-11-24-26(17)18)12-16-2-1-3-20-19(16)8-10-22-20/h1-3,7-8,10-11,15,17,22H,4-6,9,12-14H2,(H,23,27)/t17-/m0/s1
InChIKeyQGMPSNTYRUCGMZ-KRWDZBQOSA-N
MW363.47 g/mol
LogP2.84
Rot. Bonds6

About N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide

N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide (PubChem CID 124782247) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
PubChem CID124782247
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21)C1CC1
InChIInChI=1S/C21H25N5O/c27-21(15-4-5-15)23-9-6-17-13-25(14-18-7-11-24-26(17)18)12-16-2-1-3-20-19(16)8-10-22-20/h1-3,7-8,10-11,15,17,22H,4-6,9,12-14H2,(H,23,27)/t17-/m0/s1
InChIKeyQGMPSNTYRUCGMZ-KRWDZBQOSA-N
XLogP2.84
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131677621
(7R)-N-cyclopropyl-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124786935
5-(1H-indol-4-ylmethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133141807
N-[2-[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
CID 131655421
N-[2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
CID 133136366
3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide
CID 131678218
7-(1H-indol-4-ylmethyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131639369
N-[2-[(7R)-5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-2-methylpropanamide
CID 124821597
2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
CID 131678185
N-[2-[(7R)-5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124813571
N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide
CID 131677947
2-cyclopropyl-N-[2-[(7R)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
CID 124801608

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide (CID 124782247) is N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide is O=C(NCC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21)C1CC1.
What is the InChIKey of N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is QGMPSNTYRUCGMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N5O/c27-21(15-4-5-15)23-9-6-17-13-25(14-18-7-11-24-26(17)18)12-16-2-1-3-20-19(16)8-10-22-20/h1-3,7-8,10-11,15,17,22H,4-6,9,12-14H2,(H,23,27)/t17-/m0/s1.
What are the key properties of N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide?
N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 124782247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).