1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea

C25H26N6O3 — CID 69149423

IUPAC1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea
SMILESCOc1ccc(-n2nc(C(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(N)c3)cc2)cc1
InChIInChI=1S/C25H26N6O3/c1-16(2)22-15-24(31(30-22)18-6-10-19(33-3)11-7-18)29-25(32)28-17-4-8-20(9-5-17)34-21-12-13-27-23(26)14-21/h4-16H,1-3H3,(H2,26,27)(H2,28,29,32)
InChIKeyGUOLTHYQJFDFIG-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.42
Rot. Bonds7

About 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea

1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea (PubChem CID 69149423) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea
PubChem CID69149423
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea
SMILESCOc1ccc(-n2nc(C(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(N)c3)cc2)cc1
InChIInChI=1S/C25H26N6O3/c1-16(2)22-15-24(31(30-22)18-6-10-19(33-3)11-7-18)29-25(32)28-17-4-8-20(9-5-17)34-21-12-13-27-23(26)14-21/h4-16H,1-3H3,(H2,26,27)(H2,28,29,32)
InChIKeyGUOLTHYQJFDFIG-UHFFFAOYSA-N
XLogP5.42
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 143465784
4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385436
1-[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl]-3-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]urea
CID 16730957
4-[4-[[1-(1,3-benzothiazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69295346
N-methyl-4-[4-[(3-propan-2-yl-1-quinolin-6-ylpyrazol-5-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 69296990
4-[4-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide
CID 58385407
N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
CID 69295363
N-[4-[4-[[1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
CID 69295501
3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 67330876
1-[1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-propan-2-ylpyrazol-5-yl]-3-[4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69294486
ethane;3-ethylpyridine;1-(4-methoxyphenyl)-3-[1-[4-(phenylsulfamoyl)phenyl]-3-propan-2-ylpyrazol-5-yl]urea
CID 142921263
1-[4-(6-aminopyrimidin-4-yl)oxy-3-methoxyphenyl]-3-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]urea
CID 11526243

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea?
The IUPAC name of 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea (CID 69149423) is 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea.
What is the SMILES notation for 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea?
The canonical SMILES for 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea is COc1ccc(-n2nc(C(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(N)c3)cc2)cc1.
What is the InChIKey of 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea?
The InChIKey is GUOLTHYQJFDFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-16(2)22-15-24(31(30-22)18-6-10-19(33-3)11-7-18)29-25(32)28-17-4-8-20(9-5-17)34-21-12-13-27-23(26)14-21/h4-16H,1-3H3,(H2,26,27)(H2,28,29,32).
What are the key properties of 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea?
1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea has a molecular weight of 458.52 g/mol, XLogP of 5.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea is sourced from PubChem (CID 69149423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).