methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate

C27H37N5O3 — CID 73211333

IUPACmethyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate
SMILESCOC(=O)N(CCCN1C2CCC1CC(n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1ccccc1
InChIInChI=1S/C27H37N5O3/c1-19-28-25-18-29(20(2)33)15-12-26(25)32(19)24-16-22-10-11-23(17-24)30(22)13-7-14-31(27(34)35-3)21-8-5-4-6-9-21/h4-6,8-9,22-24H,7,10-18H2,1-3H3
InChIKeyXNIAOOQYWZVUIM-UHFFFAOYSA-N
MW479.63 g/mol
LogP3.93
Rot. Bonds6

About methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate

methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate (PubChem CID 73211333) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate
PubChem CID73211333
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Namemethyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate
SMILESCOC(=O)N(CCCN1C2CCC1CC(n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1ccccc1
InChIInChI=1S/C27H37N5O3/c1-19-28-25-18-29(20(2)33)15-12-26(25)32(19)24-16-22-10-11-23(17-24)30(22)13-7-14-31(27(34)35-3)21-8-5-4-6-9-21/h4-6,8-9,22-24H,7,10-18H2,1-3H3
InChIKeyXNIAOOQYWZVUIM-UHFFFAOYSA-N
XLogP3.93
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate?
The IUPAC name of methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate (CID 73211333) is methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate.
What is the SMILES notation for methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate?
The canonical SMILES for methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate is COC(=O)N(CCCN1C2CCC1CC(n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1ccccc1.
What is the InChIKey of methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate?
The InChIKey is XNIAOOQYWZVUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-19-28-25-18-29(20(2)33)15-12-26(25)32(19)24-16-22-10-11-23(17-24)30(22)13-7-14-31(27(34)35-3)21-8-5-4-6-9-21/h4-6,8-9,22-24H,7,10-18H2,1-3H3.
What are the key properties of methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate?
methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate has a molecular weight of 479.63 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-phenylcarbamate is sourced from PubChem (CID 73211333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).