4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H20FN5O2 — CID 118484959

IUPAC4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1F
InChIInChI=1S/C16H20FN5O2/c1-9(2)14-13(17)15(22-21-14)16(23)20-10-3-4-11(19-7-10)12-8-18-5-6-24-12/h3-4,7,9,12,18H,5-6,8H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyYPWAFMNNCFWBLU-GFCCVEGCSA-N
MW333.37 g/mol
LogP1.98
Rot. Bonds4

About 4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 118484959) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID118484959
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1F
InChIInChI=1S/C16H20FN5O2/c1-9(2)14-13(17)15(22-21-14)16(23)20-10-3-4-11(19-7-10)12-8-18-5-6-24-12/h3-4,7,9,12,18H,5-6,8H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyYPWAFMNNCFWBLU-GFCCVEGCSA-N
XLogP1.98
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 118484959) is 4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1F.
What is the InChIKey of 4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YPWAFMNNCFWBLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-9(2)14-13(17)15(22-21-14)16(23)20-10-3-4-11(19-7-10)12-8-18-5-6-24-12/h3-4,7,9,12,18H,5-6,8H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1.
What are the key properties of 4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118484959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).