6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C21H20F3N5O4 — CID 118044973

IUPAC6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOC(CO)C2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C21H20F3N5O4/c22-21(23,24)33-15-3-1-14(2-4-15)27-20(31)13-9-17(18-5-6-26-28-18)19(25-10-13)29-7-8-32-16(11-29)12-30/h1-6,9-10,16,30H,7-8,11-12H2,(H,26,28)(H,27,31)
InChIKeyCGBWPZREDCDGKW-UHFFFAOYSA-N
MW463.42 g/mol
LogP2.82
Rot. Bonds6

About 6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118044973) has the molecular formula C21H20F3N5O4 and a molecular weight of 463.42 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118044973
Molecular FormulaC21H20F3N5O4
Molecular Weight463.42 g/mol
Exact Mass463.15
IUPAC Name6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOC(CO)C2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C21H20F3N5O4/c22-21(23,24)33-15-3-1-14(2-4-15)27-20(31)13-9-17(18-5-6-26-28-18)19(25-10-13)29-7-8-32-16(11-29)12-30/h1-6,9-10,16,30H,7-8,11-12H2,(H,26,28)(H,27,31)
InChIKeyCGBWPZREDCDGKW-UHFFFAOYSA-N
XLogP2.82
TPSA112.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118044973) is 6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOC(CO)C2)c(-c2ccn[nH]2)c1.
What is the InChIKey of 6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is CGBWPZREDCDGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O4/c22-21(23,24)33-15-3-1-14(2-4-15)27-20(31)13-9-17(18-5-6-26-28-18)19(25-10-13)29-7-8-32-16(11-29)12-30/h1-6,9-10,16,30H,7-8,11-12H2,(H,26,28)(H,27,31).
What are the key properties of 6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118044973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).