1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea

C25H24FN5O3 — CID 68565530

IUPAC1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1Oc1cccnc1)N(CCCO)Cc1cccc(F)c1
InChIInChI=1S/C25H24FN5O3/c26-21-5-1-4-18(12-21)17-31(10-3-11-32)25(33)30-23-8-7-19(20-14-28-29-15-20)13-24(23)34-22-6-2-9-27-16-22/h1-2,4-9,12-16,32H,3,10-11,17H2,(H,28,29)(H,30,33)
InChIKeyYOENGXDVYUDECE-UHFFFAOYSA-N
MW461.50 g/mol
LogP4.82
Rot. Bonds9

About 1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea

1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea (PubChem CID 68565530) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea
PubChem CID68565530
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1Oc1cccnc1)N(CCCO)Cc1cccc(F)c1
InChIInChI=1S/C25H24FN5O3/c26-21-5-1-4-18(12-21)17-31(10-3-11-32)25(33)30-23-8-7-19(20-14-28-29-15-20)13-24(23)34-22-6-2-9-27-16-22/h1-2,4-9,12-16,32H,3,10-11,17H2,(H,28,29)(H,30,33)
InChIKeyYOENGXDVYUDECE-UHFFFAOYSA-N
XLogP4.82
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopropyl)-3-[2-(3-hydroxypropoxy)-4-(1H-pyrazol-4-yl)phenyl]-1-[(3-methoxyphenyl)methyl]urea
CID 68564066
1-[2-[[3-hydroxypropyl-[(3-methoxyphenyl)methyl]carbamoyl]amino]-5-(1H-pyrazol-4-yl)phenoxy]cyclopropane-1-carboxamide
CID 68567235
3-[2-(2-hydroxyethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
CID 68563409
1-ethyl-3-[2-(3-hydroxypropoxy)-4-(1H-pyrazol-4-yl)phenyl]-1-[(3-methoxyphenyl)methyl]urea
CID 68562449
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562576
1-(2-aminoethyl)-3-[2-(2-hydroxyethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1-[(3-methoxyphenyl)methyl]urea;bis(2,2,2-trifluoroacetic acid)
CID 117077176
1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-1-[(3-methoxyphenyl)methyl]urea;tris(2,2,2-trifluoroacetic acid)
CID 117077717
1-[(3-methoxyphenyl)methyl]-3-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-1-propan-2-ylurea;2,2,2-trifluoroacetic acid
CID 117077804
1-benzyl-1-(2-hydroxyethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565003
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058
2-[cyclopentylmethyl-[[2-(3-hydroxypropoxy)-4-(1H-pyrazol-4-yl)phenyl]carbamoyl]amino]acetamide
CID 68568421
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565165

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea (CID 68565530) is 1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea is O=C(Nc1ccc(-c2cn[nH]c2)cc1Oc1cccnc1)N(CCCO)Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea?
The InChIKey is YOENGXDVYUDECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c26-21-5-1-4-18(12-21)17-31(10-3-11-32)25(33)30-23-8-7-19(20-14-28-29-15-20)13-24(23)34-22-6-2-9-27-16-22/h1-2,4-9,12-16,32H,3,10-11,17H2,(H,28,29)(H,30,33).
What are the key properties of 1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea?
1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea has a molecular weight of 461.50 g/mol, XLogP of 4.82, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]urea is sourced from PubChem (CID 68565530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).