(2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide

C18H23FN4O2 — CID 121346585

IUPAC(2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide
SMILESCC(C)(NC(=O)[C@@H]1CNCCO1)c1nc(C2CC2)c2c(F)cccn12
InChIInChI=1S/C18H23FN4O2/c1-18(2,22-16(24)13-10-20-7-9-25-13)17-21-14(11-5-6-11)15-12(19)4-3-8-23(15)17/h3-4,8,11,13,20H,5-7,9-10H2,1-2H3,(H,22,24)/t13-/m0/s1
InChIKeyFPHMOSOQACAAJX-ZDUSSCGKSA-N
MW346.41 g/mol
LogP1.69
Rot. Bonds4

About (2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide

(2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide (PubChem CID 121346585) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide
PubChem CID121346585
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide
SMILESCC(C)(NC(=O)[C@@H]1CNCCO1)c1nc(C2CC2)c2c(F)cccn12
InChIInChI=1S/C18H23FN4O2/c1-18(2,22-16(24)13-10-20-7-9-25-13)17-21-14(11-5-6-11)15-12(19)4-3-8-23(15)17/h3-4,8,11,13,20H,5-7,9-10H2,1-2H3,(H,22,24)/t13-/m0/s1
InChIKeyFPHMOSOQACAAJX-ZDUSSCGKSA-N
XLogP1.69
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide (CID 121346585) is (2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide is CC(C)(NC(=O)[C@@H]1CNCCO1)c1nc(C2CC2)c2c(F)cccn12.
What is the InChIKey of (2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide?
The InChIKey is FPHMOSOQACAAJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-18(2,22-16(24)13-10-20-7-9-25-13)17-21-14(11-5-6-11)15-12(19)4-3-8-23(15)17/h3-4,8,11,13,20H,5-7,9-10H2,1-2H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide?
(2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 121346585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).