1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide

C28H30N6O3 — CID 11386451

IUPAC1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCn2ncc3cc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc32)CC1
InChIInChI=1S/C28H30N6O3/c29-27(35)20-12-14-33(15-13-20)16-17-34-26-11-8-23(18-21(26)19-30-34)32-28(36)31-22-6-9-25(10-7-22)37-24-4-2-1-3-5-24/h1-11,18-20H,12-17H2,(H2,29,35)(H2,31,32,36)
InChIKeyKIOITPZEEHNURK-UHFFFAOYSA-N
MW498.59 g/mol
LogP4.67
Rot. Bonds8

About 1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide

1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide (PubChem CID 11386451) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide
PubChem CID11386451
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCn2ncc3cc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc32)CC1
InChIInChI=1S/C28H30N6O3/c29-27(35)20-12-14-33(15-13-20)16-17-34-26-11-8-23(18-21(26)19-30-34)32-28(36)31-22-6-9-25(10-7-22)37-24-4-2-1-3-5-24/h1-11,18-20H,12-17H2,(H2,29,35)(H2,31,32,36)
InChIKeyKIOITPZEEHNURK-UHFFFAOYSA-N
XLogP4.67
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510448
2-[4-(benzyloxy)phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11270984
2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11351174
1-(4-Phenoxy-benzyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11396908
1-{1-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-1H-indazol-5-yl}-3-(4-phenoxy-phenyl)-urea
CID 11397595
N-(4-phenoxyphenyl)-N''-[1-(2-piperidin-1-ylethyl)-1H-indazol-5-yl]urea
CID 11408441
N-(4-phenoxyphenyl)-N'-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]urea
CID 11419337
N-(4-phenoxyphenyl)-N'-[2-(2-pyrrolidin-1-ylethyl)-2H-indazol-5-yl]urea
CID 11419338
N-(4-phenoxyphenyl)-N''-[1-(2-azepan-1-yl-ethyl)-1H-indazol-5-yl]urea
CID 11442761
1-[2-(4-Phenoxy-phenyl)-ethyl]-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11454184
1-(4-Benzyloxy-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11518159
1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]imidazolidin-2-one
CID 11518384

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide (CID 11386451) is 1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCn2ncc3cc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc32)CC1.
What is the InChIKey of 1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is KIOITPZEEHNURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c29-27(35)20-12-14-33(15-13-20)16-17-34-26-11-8-23(18-21(26)19-30-34)32-28(36)31-22-6-9-25(10-7-22)37-24-4-2-1-3-5-24/h1-11,18-20H,12-17H2,(H2,29,35)(H2,31,32,36).
What are the key properties of 1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide?
1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 11386451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).