1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea

C25H33N5O2 — CID 23288221

IUPAC1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea
SMILESCCCN1CCC(c2[nH]nc3ccc(NC(=O)Nc4ccccc4OC(C)C)cc23)CC1
InChIInChI=1S/C25H33N5O2/c1-4-13-30-14-11-18(12-15-30)24-20-16-19(9-10-21(20)28-29-24)26-25(31)27-22-7-5-6-8-23(22)32-17(2)3/h5-10,16-18H,4,11-15H2,1-3H3,(H,28,29)(H2,26,27,31)
InChIKeyYMPFHBXZEPWKNJ-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.58
Rot. Bonds7

About 1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea

1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea (PubChem CID 23288221) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea
PubChem CID23288221
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea
SMILESCCCN1CCC(c2[nH]nc3ccc(NC(=O)Nc4ccccc4OC(C)C)cc23)CC1
InChIInChI=1S/C25H33N5O2/c1-4-13-30-14-11-18(12-15-30)24-20-16-19(9-10-21(20)28-29-24)26-25(31)27-22-7-5-6-8-23(22)32-17(2)3/h5-10,16-18H,4,11-15H2,1-3H3,(H,28,29)(H2,26,27,31)
InChIKeyYMPFHBXZEPWKNJ-UHFFFAOYSA-N
XLogP5.58
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-butan-2-yloxyphenyl)-3-[3-(1-pentylpiperidin-4-yl)-2H-indazol-5-yl]thiourea
CID 23288205
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide
CID 91564135
butyl 2-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoylamino]benzoate
CID 19064548
N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide
CID 11566896
N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide
CID 48775537
2-ethyl-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 108990892
4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108978
methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385068
1-(4-phenylmethoxyphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992099
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
CID 71653291
1-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]-3-phenylurea;2-phenylpropanoic acid
CID 67667885

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea (CID 23288221) is 1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea is CCCN1CCC(c2[nH]nc3ccc(NC(=O)Nc4ccccc4OC(C)C)cc23)CC1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea?
The InChIKey is YMPFHBXZEPWKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-4-13-30-14-11-18(12-15-30)24-20-16-19(9-10-21(20)28-29-24)26-25(31)27-22-7-5-6-8-23(22)32-17(2)3/h5-10,16-18H,4,11-15H2,1-3H3,(H,28,29)(H2,26,27,31).
What are the key properties of 1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea?
1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea has a molecular weight of 435.57 g/mol, XLogP of 5.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea is sourced from PubChem (CID 23288221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).