tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate

C26H32N6O4 — CID 164750429

IUPACtert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
SMILESCc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3[nH]ncc3c2)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C26H32N6O4/c1-15-6-9-21(17-7-8-20-18(11-17)12-28-31-20)32(14-15)24(34)23(33)29-19-10-16(2)22(27-13-19)30-25(35)36-26(3,4)5/h7-8,10-13,15,21H,6,9,14H2,1-5H3,(H,28,31)(H,29,33)(H,27,30,35)
InChIKeyQACQRZPGJYXKJC-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.55
Rot. Bonds3

About tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate

tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate (PubChem CID 164750429) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
PubChem CID164750429
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC Nametert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
SMILESCc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3[nH]ncc3c2)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C26H32N6O4/c1-15-6-9-21(17-7-8-20-18(11-17)12-28-31-20)32(14-15)24(34)23(33)29-19-10-16(2)22(27-13-19)30-25(35)36-26(3,4)5/h7-8,10-13,15,21H,6,9,14H2,1-5H3,(H,28,31)(H,29,33)(H,27,30,35)
InChIKeyQACQRZPGJYXKJC-UHFFFAOYSA-N
XLogP4.55
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]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

tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164753133
tert-butyl N-[3-methyl-5-[[2-[5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate
CID 164753872
tert-butyl N-[5-[[2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164752540
tert-butyl N-[5-[[2-[(2R,5S)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164752601
tert-butyl N-[3-methyl-5-[[2-[(2S,5R)-5-methyl-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate
CID 164753285
[4-[(2R,5S)-5-methyl-1-[2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetyl]piperidin-2-yl]phenyl] acetate
CID 164753507
tert-butyl N-[5-[[2-[(2R,5S)-2-(3,5-difluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164753119
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1H-indazol-6-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164750210
tert-butyl (2S)-2-(1H-indazol-5-yl)-5-methylpiperidine-1-carboxylate
CID 175471046
tert-butyl N-[5-[[2-[(2R,5S)-2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164751030
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[3-chloro-4-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;methane
CID 164970934
tert-butyl N-[3-methyl-5-[[2-[(2S,5R)-5-methyl-2-[5-(methylcarbamoyl)thiophen-2-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate
CID 164750648

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate (CID 164750429) is tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate is Cc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3[nH]ncc3c2)cnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate?
The InChIKey is QACQRZPGJYXKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-15-6-9-21(17-7-8-20-18(11-17)12-28-31-20)32(14-15)24(34)23(33)29-19-10-16(2)22(27-13-19)30-25(35)36-26(3,4)5/h7-8,10-13,15,21H,6,9,14H2,1-5H3,(H,28,31)(H,29,33)(H,27,30,35).
What are the key properties of tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate?
tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate has a molecular weight of 492.58 g/mol, XLogP of 4.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate is sourced from PubChem (CID 164750429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).