N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

C21H27N5O — CID 118770884

IUPACN-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(Cc1cccc3c(C)c(C)[nH]c13)C2
InChIInChI=1S/C21H27N5O/c1-4-20(27)22-11-17-10-18-13-25(8-9-26(18)24-17)12-16-6-5-7-19-14(2)15(3)23-21(16)19/h5-7,10,23H,4,8-9,11-13H2,1-3H3,(H,22,27)
InChIKeyOOKMIHVXODXTKO-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.02
Rot. Bonds5

About N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (PubChem CID 118770884) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
PubChem CID118770884
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(Cc1cccc3c(C)c(C)[nH]c13)C2
InChIInChI=1S/C21H27N5O/c1-4-20(27)22-11-17-10-18-13-25(8-9-26(18)24-17)12-16-6-5-7-19-14(2)15(3)23-21(16)19/h5-7,10,23H,4,8-9,11-13H2,1-3H3,(H,22,27)
InChIKeyOOKMIHVXODXTKO-UHFFFAOYSA-N
XLogP3.02
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (CID 118770884) is N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is CCC(=O)NCc1cc2n(n1)CCN(Cc1cccc3c(C)c(C)[nH]c13)C2.
What is the InChIKey of N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The InChIKey is OOKMIHVXODXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-4-20(27)22-11-17-10-18-13-25(8-9-26(18)24-17)12-16-6-5-7-19-14(2)15(3)23-21(16)19/h5-7,10,23H,4,8-9,11-13H2,1-3H3,(H,22,27).
What are the key properties of N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide has a molecular weight of 365.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 118770884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).