acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide

C29H36N6O — CID 145000487

IUPACacetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide
SMILESC#C.CC.CC(C)NC(=O)c1ccc(C(C)n2cc3cc(-c4n[nH]c5c4C[C@H](C)C5)cnc3n2)cc1
InChIInChI=1S/C25H28N6O.C2H6.C2H2/c1-14(2)27-25(32)18-7-5-17(6-8-18)16(4)31-13-20-11-19(12-26-24(20)30-31)23-21-9-15(3)10-22(21)28-29-23;2*1-2/h5-8,11-16H,9-10H2,1-4H3,(H,27,32)(H,28,29);1-2H3;1-2H/t15-,16?;;/m0../s1
InChIKeyYUNGGFPYIHZCNE-ZUSWOZOKSA-N
MW484.65 g/mol
LogP5.58
Rot. Bonds5

About acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide

acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide (PubChem CID 145000487) has the molecular formula C29H36N6O and a molecular weight of 484.65 g/mol. Its IUPAC name is acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Nameacetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide
PubChem CID145000487
Molecular FormulaC29H36N6O
Molecular Weight484.65 g/mol
Exact Mass484.30
IUPAC Nameacetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide
SMILESC#C.CC.CC(C)NC(=O)c1ccc(C(C)n2cc3cc(-c4n[nH]c5c4C[C@H](C)C5)cnc3n2)cc1
InChIInChI=1S/C25H28N6O.C2H6.C2H2/c1-14(2)27-25(32)18-7-5-17(6-8-18)16(4)31-13-20-11-19(12-26-24(20)30-31)23-21-9-15(3)10-22(21)28-29-23;2*1-2/h5-8,11-16H,9-10H2,1-4H3,(H,27,32)(H,28,29);1-2H3;1-2H/t15-,16?;;/m0../s1
InChIKeyYUNGGFPYIHZCNE-ZUSWOZOKSA-N
XLogP5.58
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.65
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide
CID 144999590
6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide
CID 121261417
N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide
CID 145000099
methyl 2-heptan-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 175951880
6-ethynyl-N-propan-2-ylpyridine-3-carboxamide
CID 90450091
4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide
CID 165486423
4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide
CID 175244935
2-[5-[[2-(4-ethylsulfanylphenyl)-2-formamidoacetyl]amino]-2-pyridinyl]-1-[(1R)-1-(4-methylphenyl)ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 166934698
2,3-dichloro-N-propan-2-ylquinoxaline-6-carboxamide
CID 15158271
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
acetylene;N-[(2R)-butan-2-yl]-4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]benzamide;methanol
CID 145000285
4-[[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 169265881

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide?
The IUPAC name of acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide (CID 145000487) is acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide is C#C.CC.CC(C)NC(=O)c1ccc(C(C)n2cc3cc(-c4n[nH]c5c4C[C@H](C)C5)cnc3n2)cc1.
What is the InChIKey of acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide?
The InChIKey is YUNGGFPYIHZCNE-ZUSWOZOKSA-N. The full InChI is InChI=1S/C25H28N6O.C2H6.C2H2/c1-14(2)27-25(32)18-7-5-17(6-8-18)16(4)31-13-20-11-19(12-26-24(20)30-31)23-21-9-15(3)10-22(21)28-29-23;2*1-2/h5-8,11-16H,9-10H2,1-4H3,(H,27,32)(H,28,29);1-2H3;1-2H/t15-,16?;;/m0../s1.
What are the key properties of acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide?
acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide has a molecular weight of 484.65 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;4-[1-[5-[(5S)-5-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]pyrazolo[3,4-b]pyridin-2-yl]ethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 145000487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).