2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone

C18H24N4O2 — CID 122609596

IUPAC2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/C18H24N4O2/c19-8-16(23)21-6-1-2-13(10-21)18(24)17-14(12-3-4-12)5-7-22-11-20-9-15(17)22/h5,7,9,11-13,18,24H,1-4,6,8,10,19H2
InChIKeySFTXHYHGMAORTI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.44
Rot. Bonds4

About 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone

2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone (PubChem CID 122609596) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone
PubChem CID122609596
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/C18H24N4O2/c19-8-16(23)21-6-1-2-13(10-21)18(24)17-14(12-3-4-12)5-7-22-11-20-9-15(17)22/h5,7,9,11-13,18,24H,1-4,6,8,10,19H2
InChIKeySFTXHYHGMAORTI-UHFFFAOYSA-N
XLogP1.44
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone (CID 122609596) is 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone is NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.
What is the InChIKey of 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone?
The InChIKey is SFTXHYHGMAORTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-8-16(23)21-6-1-2-13(10-21)18(24)17-14(12-3-4-12)5-7-22-11-20-9-15(17)22/h5,7,9,11-13,18,24H,1-4,6,8,10,19H2.
What are the key properties of 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone?
2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 122609596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).