tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C38H51N7O7 — CID 169115970

IUPACtert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC1CN(C(=O)C(=O)Nc2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3cn(C4CCCCO4)nc23)C(c2ccccc2)CN1C1CCC1
InChIInChI=1S/C38H51N7O7/c1-24-21-43(29(25-14-9-8-10-15-25)23-42(24)26-16-13-17-26)34(47)33(46)40-28-20-39-32(27-22-44(41-31(27)28)30-18-11-12-19-50-30)45(35(48)51-37(2,3)4)36(49)52-38(5,6)7/h8-10,14-15,20,22,24,26,29-30H,11-13,16-19,21,23H2,1-7H3,(H,40,46)
InChIKeyXUYRZJZVNHQFEZ-UHFFFAOYSA-N
MW717.87 g/mol
LogP6.57
Rot. Bonds5

About tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 169115970) has the molecular formula C38H51N7O7 and a molecular weight of 717.87 g/mol. Its IUPAC name is tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID169115970
Molecular FormulaC38H51N7O7
Molecular Weight717.87 g/mol
Exact Mass717.38
IUPAC Nametert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC1CN(C(=O)C(=O)Nc2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3cn(C4CCCCO4)nc23)C(c2ccccc2)CN1C1CCC1
InChIInChI=1S/C38H51N7O7/c1-24-21-43(29(25-14-9-8-10-15-25)23-42(24)26-16-13-17-26)34(47)33(46)40-28-20-39-32(27-22-44(41-31(27)28)30-18-11-12-19-50-30)45(35(48)51-37(2,3)4)36(49)52-38(5,6)7/h8-10,14-15,20,22,24,26,29-30H,11-13,16-19,21,23H2,1-7H3,(H,40,46)
InChIKeyXUYRZJZVNHQFEZ-UHFFFAOYSA-N
XLogP6.57
TPSA148.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.87
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate 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

2-[(2S,5R)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-N-[1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-7-yl]-2-oxoacetamide
CID 169115132
tert-butyl (2R,5S)-2-methyl-4-[2-oxo-2-(1H-pyrazolo[4,3-c]pyridin-7-ylamino)acetyl]-5-phenylpiperazine-1-carboxylate
CID 169115221
2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide
CID 169115611
tert-butyl N-[3-methyl-5-[[2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetyl]amino]-2-pyridinyl]carbamate
CID 167033491
N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 169114933
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide
CID 169115932
tert-butyl (2S,5R)-5-methyl-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-1-carboxylate
CID 164753790
N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetamide
CID 164753441
N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide
CID 164752907
tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-pyridin-2-ylindazol-5-yl]phenyl]propan-2-yl]carbamate
CID 23134465
tert-butyl N-[3-ethyl-5-[[2-[(5S)-5-methyl-2-[3-methyl-2-(1-methylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 169112582
tert-butyl N-[3-methyl-5-[[2-[5-methyl-2-[5-[2-(oxan-2-yl)pyrazol-3-yl]thiophen-2-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate
CID 164752613

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 169115970) is tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC1CN(C(=O)C(=O)Nc2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3cn(C4CCCCO4)nc23)C(c2ccccc2)CN1C1CCC1.
What is the InChIKey of tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is XUYRZJZVNHQFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N7O7/c1-24-21-43(29(25-14-9-8-10-15-25)23-42(24)26-16-13-17-26)34(47)33(46)40-28-20-39-32(27-22-44(41-31(27)28)30-18-11-12-19-50-30)45(35(48)51-37(2,3)4)36(49)52-38(5,6)7/h8-10,14-15,20,22,24,26,29-30H,11-13,16-19,21,23H2,1-7H3,(H,40,46).
What are the key properties of tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 717.87 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-[[2-(4-cyclobutyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetyl]amino]-2-(oxan-2-yl)pyrazolo[4,3-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 169115970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).