N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

C22H25N5O2 — CID 126426514

IUPACN-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H]1CCCc3c1[nH]c1ccccc31)C2
InChIInChI=1S/C22H25N5O2/c1-14(28)23-12-15-11-16-13-26(9-10-27(16)25-15)22(29)19-7-4-6-18-17-5-2-3-8-20(17)24-21(18)19/h2-3,5,8,11,19,24H,4,6-7,9-10,12-13H2,1H3,(H,23,28)/t19-/m1/s1
InChIKeyGYPMRWBFLPBXOP-LJQANCHMSA-N
MW391.48 g/mol
LogP2.46
Rot. Bonds3

About N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 126426514) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
PubChem CID126426514
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H]1CCCc3c1[nH]c1ccccc31)C2
InChIInChI=1S/C22H25N5O2/c1-14(28)23-12-15-11-16-13-26(9-10-27(16)25-15)22(29)19-7-4-6-18-17-5-2-3-8-20(17)24-21(18)19/h2-3,5,8,11,19,24H,4,6-7,9-10,12-13H2,1H3,(H,23,28)/t19-/m1/s1
InChIKeyGYPMRWBFLPBXOP-LJQANCHMSA-N
XLogP2.46
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide with MolForge

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Related Compounds

1-[4-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]piperazin-1-yl]ethanone
CID 29258867
morpholin-4-yl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 131916432
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 154569334
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 118767144
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 131914265
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 131911526
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide
CID 118766639
N-[[5-(3-cyclopentylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70766531
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 70761206
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 154885497
2-[(cyclobutanecarbonylamino)methyl]-N-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 122567874
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 118788274

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 126426514) is N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H]1CCCc3c1[nH]c1ccccc31)C2.
What is the InChIKey of N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The InChIKey is GYPMRWBFLPBXOP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14(28)23-12-15-11-16-13-26(9-10-27(16)25-15)22(29)19-7-4-6-18-17-5-2-3-8-20(17)24-21(18)19/h2-3,5,8,11,19,24H,4,6-7,9-10,12-13H2,1H3,(H,23,28)/t19-/m1/s1.
What are the key properties of N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 126426514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).