N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide

C26H38N6O — CID 73211386

IUPACN-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide
SMILESCc1nnc(C(C)C)n1N1CC2CCC(C1)N2CCC(NC(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C26H38N6O/c1-18(2)25-29-28-19(3)32(25)30-16-22-12-13-23(17-30)31(22)15-14-24(20-8-5-4-6-9-20)27-26(33)21-10-7-11-21/h4-6,8-9,18,21-24H,7,10-17H2,1-3H3,(H,27,33)
InChIKeyMFFMISLVQOQDRX-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.54
Rot. Bonds8

About N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide

N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide (PubChem CID 73211386) has the molecular formula C26H38N6O and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide
PubChem CID73211386
Molecular FormulaC26H38N6O
Molecular Weight450.63 g/mol
Exact Mass450.31
IUPAC NameN-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide
SMILESCc1nnc(C(C)C)n1N1CC2CCC(C1)N2CCC(NC(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C26H38N6O/c1-18(2)25-29-28-19(3)32(25)30-16-22-12-13-23(17-30)31(22)15-14-24(20-8-5-4-6-9-20)27-26(33)21-10-7-11-21/h4-6,8-9,18,21-24H,7,10-17H2,1-3H3,(H,27,33)
InChIKeyMFFMISLVQOQDRX-UHFFFAOYSA-N
XLogP3.54
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide 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

4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;phosphoric acid
CID 56925094
4,4-difluoro-N-[1-phenyl-3-[3-[3-propan-2-yl-5-(trideuteriomethyl)-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide
CID 25256536
2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
CID 58275905
N-[(1S)-3-[(1S,5R)-3-(4-methyl-3-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 143350080
N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-thiophen-2-ylpropyl]cyclohexanecarboxamide
CID 126585471
N-[(1S)-1-(6-fluoro-3-pyridinyl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentanecarboxamide
CID 118219267
2,2,6,6-tetradeuterio-N-[3-[3-[3-(2-deuteriopropan-2-yl)-5-(trideuteriomethyl)-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 58275882
N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-pyridin-3-ylpropyl]cyclopentanecarboxamide
CID 122668201
4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]piperidine-3-carboxamide
CID 145087448
N-[(1S)-3-[3-[3-[2-[[2-[2-(ethylamino)-2-oxoethoxy]acetyl]amino]ethyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 174340102
N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylbutyl]-1,1-dioxothiane-4-carboxamide
CID 44564983
tert-butyl N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]carbamate
CID 20609980

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide (CID 73211386) is N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide is Cc1nnc(C(C)C)n1N1CC2CCC(C1)N2CCC(NC(=O)C1CCC1)c1ccccc1.
What is the InChIKey of N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide?
The InChIKey is MFFMISLVQOQDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O/c1-18(2)25-29-28-19(3)32(25)30-16-22-12-13-23(17-30)31(22)15-14-24(20-8-5-4-6-9-20)27-26(33)21-10-7-11-21/h4-6,8-9,18,21-24H,7,10-17H2,1-3H3,(H,27,33).
What are the key properties of N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide?
N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide has a molecular weight of 450.63 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide is sourced from PubChem (CID 73211386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).