tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate

C23H34N4O4 — CID 139502064

IUPACtert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/C23H34N4O4/c1-23(2,3)31-22(30)25-12-19(28)26-9-4-5-16(13-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27/h8,10-11,14-16,19,21,28-29H,4-7,9,12-13H2,1-3H3,(H,25,30)
InChIKeyLUFABEIQJRSOBW-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.80
Rot. Bonds6

About tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate

tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate (PubChem CID 139502064) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate
PubChem CID139502064
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Nametert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/C23H34N4O4/c1-23(2,3)31-22(30)25-12-19(28)26-9-4-5-16(13-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27/h8,10-11,14-16,19,21,28-29H,4-7,9,12-13H2,1-3H3,(H,25,30)
InChIKeyLUFABEIQJRSOBW-UHFFFAOYSA-N
XLogP2.80
TPSA99.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate (CID 139502064) is tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NCC(O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.
What is the InChIKey of tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate?
The InChIKey is LUFABEIQJRSOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-23(2,3)31-22(30)25-12-19(28)26-9-4-5-16(13-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27/h8,10-11,14-16,19,21,28-29H,4-7,9,12-13H2,1-3H3,(H,25,30).
What are the key properties of tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate?
tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate has a molecular weight of 430.55 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 139502064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).