(2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine

C19H21N3O2 — CID 127031500

IUPAC(2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine
SMILESc1ccc(OC[C@@H]2CN(Cc3ncn4ccccc34)CCO2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-6-16(7-3-1)24-14-17-12-21(10-11-23-17)13-18-19-8-4-5-9-22(19)15-20-18/h1-9,15,17H,10-14H2/t17-/m0/s1
InChIKeyDZLWDCUOZPPBTR-KRWDZBQOSA-N
MW323.40 g/mol
LogP2.61
Rot. Bonds5

About (2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine

(2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine (PubChem CID 127031500) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine
PubChem CID127031500
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine
SMILESc1ccc(OC[C@@H]2CN(Cc3ncn4ccccc34)CCO2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-6-16(7-3-1)24-14-17-12-21(10-11-23-17)13-18-19-8-4-5-9-22(19)15-20-18/h1-9,15,17H,10-14H2/t17-/m0/s1
InChIKeyDZLWDCUOZPPBTR-KRWDZBQOSA-N
XLogP2.61
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine (CID 127031500) is (2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine is c1ccc(OC[C@@H]2CN(Cc3ncn4ccccc34)CCO2)cc1.
What is the InChIKey of (2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine?
The InChIKey is DZLWDCUOZPPBTR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-6-16(7-3-1)24-14-17-12-21(10-11-23-17)13-18-19-8-4-5-9-22(19)15-20-18/h1-9,15,17H,10-14H2/t17-/m0/s1.
What are the key properties of (2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine?
(2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine has a molecular weight of 323.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(imidazo[1,5-a]pyridin-1-ylmethyl)-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127031500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).