tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

C26H34N4O5 — CID 58784082

IUPACtert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)c1ncc2cccc(CO)n12
InChIInChI=1S/C26H34N4O5/c1-25(2,3)35-24(33)29-26(4,5)23(32)28-21(17-34-16-18-10-7-6-8-11-18)22-27-14-19-12-9-13-20(15-31)30(19)22/h6-14,21,31H,15-17H2,1-5H3,(H,28,32)(H,29,33)
InChIKeySEKVHHVUXAKMNL-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.50
Rot. Bonds9

About tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 58784082) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID58784082
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Nametert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)c1ncc2cccc(CO)n12
InChIInChI=1S/C26H34N4O5/c1-25(2,3)35-24(33)29-26(4,5)23(32)28-21(17-34-16-18-10-7-6-8-11-18)22-27-14-19-12-9-13-20(15-31)30(19)22/h6-14,21,31H,15-17H2,1-5H3,(H,28,32)(H,29,33)
InChIKeySEKVHHVUXAKMNL-UHFFFAOYSA-N
XLogP3.50
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 58784082) is tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)c1ncc2cccc(CO)n12.
What is the InChIKey of tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is SEKVHHVUXAKMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-25(2,3)35-24(33)29-26(4,5)23(32)28-21(17-34-16-18-10-7-6-8-11-18)22-27-14-19-12-9-13-20(15-31)30(19)22/h6-14,21,31H,15-17H2,1-5H3,(H,28,32)(H,29,33).
What are the key properties of tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 482.58 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 58784082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).