(2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide

C16H21FN4O2 — CID 121346582

IUPAC(2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2ccc(F)cc21
InChIInChI=1S/C16H21FN4O2/c1-16(2,19-15(22)13-9-18-6-7-23-13)14-11-5-4-10(17)8-12(11)21(3)20-14/h4-5,8,13,18H,6-7,9H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyIFIWPMNEBKCRKB-ZDUSSCGKSA-N
MW320.37 g/mol
LogP1.05
Rot. Bonds3

About (2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide

(2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide (PubChem CID 121346582) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is (2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide
PubChem CID121346582
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name(2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2ccc(F)cc21
InChIInChI=1S/C16H21FN4O2/c1-16(2,19-15(22)13-9-18-6-7-23-13)14-11-5-4-10(17)8-12(11)21(3)20-14/h4-5,8,13,18H,6-7,9H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyIFIWPMNEBKCRKB-ZDUSSCGKSA-N
XLogP1.05
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide (CID 121346582) is (2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide is Cn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2ccc(F)cc21.
What is the InChIKey of (2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide?
The InChIKey is IFIWPMNEBKCRKB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-16(2,19-15(22)13-9-18-6-7-23-13)14-11-5-4-10(17)8-12(11)21(3)20-14/h4-5,8,13,18H,6-7,9H2,1-3H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide?
(2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 121346582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).