2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide

C23H25N5O5 — CID 67765354

IUPAC2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
SMILESCOC[C@@H](C)Oc1cc(C(=O)Nc2ccn[nH]2)cc(Oc2ccc(C(=O)N3CCC3)cc2)n1
InChIInChI=1S/C23H25N5O5/c1-15(14-31-2)32-20-12-17(22(29)25-19-8-9-24-27-19)13-21(26-20)33-18-6-4-16(5-7-18)23(30)28-10-3-11-28/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H2,24,25,27,29)/t15-/m1/s1
InChIKeyCEADNWJUPAYUOO-OAHLLOKOSA-N
MW451.48 g/mol
LogP3.11
Rot. Bonds9

About 2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide

2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide (PubChem CID 67765354) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
PubChem CID67765354
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
SMILESCOC[C@@H](C)Oc1cc(C(=O)Nc2ccn[nH]2)cc(Oc2ccc(C(=O)N3CCC3)cc2)n1
InChIInChI=1S/C23H25N5O5/c1-15(14-31-2)32-20-12-17(22(29)25-19-8-9-24-27-19)13-21(26-20)33-18-6-4-16(5-7-18)23(30)28-10-3-11-28/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H2,24,25,27,29)/t15-/m1/s1
InChIKeyCEADNWJUPAYUOO-OAHLLOKOSA-N
XLogP3.11
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 67489767
3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)benzamide
CID 11662060
ethyl 2-[2-[[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 87420042
3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzoic acid
CID 122417329
3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide
CID 71021574
3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(1H-pyrazol-5-yl)benzamide
CID 15949953
6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489750
methyl 2-[[3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 122417304
2-(1-methoxypropan-2-yloxy)-6-(4-methylsulfinylphenoxy)-N-pyrimidin-4-ylpyridine-4-carboxamide
CID 143853410
2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide
CID 67489794
N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(4-piperazin-1-ylsulfonylphenoxy)pyridine-4-carboxamide
CID 143828141
3-(1-methoxypropan-2-yloxy)-5-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 72992298

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide (CID 67765354) is 2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide is COC[C@@H](C)Oc1cc(C(=O)Nc2ccn[nH]2)cc(Oc2ccc(C(=O)N3CCC3)cc2)n1.
What is the InChIKey of 2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide?
The InChIKey is CEADNWJUPAYUOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-15(14-31-2)32-20-12-17(22(29)25-19-8-9-24-27-19)13-21(26-20)33-18-6-4-16(5-7-18)23(30)28-10-3-11-28/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H2,24,25,27,29)/t15-/m1/s1.
What are the key properties of 2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide?
2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 67765354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).