formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol

C32H43N5O4 — CID 142095834

IUPACformamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol
SMILESCC(C(=O)N1CCC1C(=O)NC1CCc2[nH]ncc2C1)C(c1ccccc1)c1ccccc1.CC(C)(C)O.NC=O
InChIInChI=1S/C27H30N4O2.C4H10O.CH3NO/c1-18(25(19-8-4-2-5-9-19)20-10-6-3-7-11-20)27(33)31-15-14-24(31)26(32)29-22-12-13-23-21(16-22)17-28-30-23;1-4(2,3)5;2-1-3/h2-11,17-18,22,24-25H,12-16H2,1H3,(H,28,30)(H,29,32);5H,1-3H3;1H,(H2,2,3)
InChIKeyLPARKROSJZLZCF-UHFFFAOYSA-N
MW561.73 g/mol
LogP3.33
Rot. Bonds6

About formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol

formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol (PubChem CID 142095834) has the molecular formula C32H43N5O4 and a molecular weight of 561.73 g/mol. Its IUPAC name is formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol.

Molecular Properties

Compound Nameformamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol
PubChem CID142095834
Molecular FormulaC32H43N5O4
Molecular Weight561.73 g/mol
Exact Mass561.33
IUPAC Nameformamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol
SMILESCC(C(=O)N1CCC1C(=O)NC1CCc2[nH]ncc2C1)C(c1ccccc1)c1ccccc1.CC(C)(C)O.NC=O
InChIInChI=1S/C27H30N4O2.C4H10O.CH3NO/c1-18(25(19-8-4-2-5-9-19)20-10-6-3-7-11-20)27(33)31-15-14-24(31)26(32)29-22-12-13-23-21(16-22)17-28-30-23;1-4(2,3)5;2-1-3/h2-11,17-18,22,24-25H,12-16H2,1H3,(H,28,30)(H,29,32);5H,1-3H3;1H,(H2,2,3)
InChIKeyLPARKROSJZLZCF-UHFFFAOYSA-N
XLogP3.33
TPSA141.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.73
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124852777
(2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide
CID 94801301
1-(2-amino-2-oxoethyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperidine-4-carboxamide
CID 97119621
benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
CID 175325896
tert-butyl N-[(2R)-1-[(2S)-2-[(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10142183
5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
CID 166218790
N'-(2-phenylsulfanylphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide
CID 99718936
N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide
CID 97103418
1-(5-phenyl-1,2-oxazol-3-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327533
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 136515618
1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327583
N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
CID 154859068

Frequently Asked Questions

What is the IUPAC name of formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol?
The IUPAC name of formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol (CID 142095834) is formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol.
What is the SMILES notation for formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol?
The canonical SMILES for formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol is CC(C(=O)N1CCC1C(=O)NC1CCc2[nH]ncc2C1)C(c1ccccc1)c1ccccc1.CC(C)(C)O.NC=O.
What is the InChIKey of formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol?
The InChIKey is LPARKROSJZLZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2.C4H10O.CH3NO/c1-18(25(19-8-4-2-5-9-19)20-10-6-3-7-11-20)27(33)31-15-14-24(31)26(32)29-22-12-13-23-21(16-22)17-28-30-23;1-4(2,3)5;2-1-3/h2-11,17-18,22,24-25H,12-16H2,1H3,(H,28,30)(H,29,32);5H,1-3H3;1H,(H2,2,3).
What are the key properties of formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol?
formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol has a molecular weight of 561.73 g/mol, XLogP of 3.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;1-(2-methyl-3,3-diphenylpropanoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)azetidine-2-carboxamide;2-methylpropan-2-ol is sourced from PubChem (CID 142095834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).