tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate

C17H26N8O3 — CID 167458008

IUPACtert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate
SMILESCOc1nn(CCCNC(=O)OC(C)(C)C)cc1Nc1[nH]nc2c1ncn2C
InChIInChI=1S/C17H26N8O3/c1-17(2,3)28-16(26)18-7-6-8-25-9-11(15(23-25)27-5)20-13-12-14(22-21-13)24(4)10-19-12/h9-10H,6-8H2,1-5H3,(H,18,26)(H2,20,21,22)
InChIKeyIRCUYMXNSMXYHP-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.16
Rot. Bonds7

About tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate

tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate (PubChem CID 167458008) has the molecular formula C17H26N8O3 and a molecular weight of 390.45 g/mol. Its IUPAC name is tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate
PubChem CID167458008
Molecular FormulaC17H26N8O3
Molecular Weight390.45 g/mol
Exact Mass390.21
IUPAC Nametert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate
SMILESCOc1nn(CCCNC(=O)OC(C)(C)C)cc1Nc1[nH]nc2c1ncn2C
InChIInChI=1S/C17H26N8O3/c1-17(2,3)28-16(26)18-7-6-8-25-9-11(15(23-25)27-5)20-13-12-14(22-21-13)24(4)10-19-12/h9-10H,6-8H2,1-5H3,(H,18,26)(H2,20,21,22)
InChIKeyIRCUYMXNSMXYHP-UHFFFAOYSA-N
XLogP2.16
TPSA123.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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CID 167457901
tert-butyl N-[3-(tetrazol-1-yl)propyl]carbamate
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2-trimethylsilylethyl N-[3-(4-amino-3-methoxypyrazol-1-yl)propyl]carbamate
CID 175886441
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CID 162677574
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CID 171066572
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazole-2-sulfonic acid
CID 164578125
2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 175886809
tert-butyl N-[3-[5-chloro-6-(2-fluorophenyl)indazol-2-yl]propyl]carbamate
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tert-butyl N-[5-[4-[[9-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]purin-6-yl]amino]-3-ethylpyrazol-1-yl]pentyl]carbamate
CID 167458020
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate (CID 167458008) is tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate is COc1nn(CCCNC(=O)OC(C)(C)C)cc1Nc1[nH]nc2c1ncn2C.
What is the InChIKey of tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate?
The InChIKey is IRCUYMXNSMXYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O3/c1-17(2,3)28-16(26)18-7-6-8-25-9-11(15(23-25)27-5)20-13-12-14(22-21-13)24(4)10-19-12/h9-10H,6-8H2,1-5H3,(H,18,26)(H2,20,21,22).
What are the key properties of tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate?
tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate has a molecular weight of 390.45 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-methoxy-4-[(6-methyl-2H-imidazo[4,5-c]pyrazol-3-yl)amino]pyrazol-1-yl]propyl]carbamate is sourced from PubChem (CID 167458008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).