3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate

C78H70N18O11 — CID 161084294

IUPAC3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
SMILESCCNC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.CCOC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.COc1ccc(CNC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Oc4ccccc4)c3)c2c1
InChIInChI=1S/C23H21N5O3.C21H16N4O3.C17H17N5O2.C17H16N4O3/c1-31-18-8-5-14(6-9-18)13-25-23(30)26-17-4-2-3-15(11-17)21-19-12-16(22(24)29)7-10-20(19)27-28-21;22-20(26)14-9-10-18-17(12-14)19(25-24-18)13-5-4-6-15(11-13)23-21(27)28-16-7-2-1-3-8-16;1-2-19-17(24)20-12-5-3-4-10(8-12)15-13-9-11(16(18)23)6-7-14(13)21-22-15;1-2-24-17(23)19-12-5-3-4-10(8-12)15-13-9-11(16(18)22)6-7-14(13)20-21-15/h2-12H,13H2,1H3,(H2,24,29)(H,27,28)(H2,25,26,30);1-12H,(H2,22,26)(H,23,27)(H,24,25);3-9H,2H2,1H3,(H2,18,23)(H,21,22)(H2,19,20,24);3-9H,2H2,1H3,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyUGHOGRLCUZTIOC-UHFFFAOYSA-N
MW1435.53 g/mol
LogP12.97
Rot. Bonds18

About 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate

3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate (PubChem CID 161084294) has the molecular formula C78H70N18O11 and a molecular weight of 1435.53 g/mol. Its IUPAC name is 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate.

Molecular Properties

Compound Name3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
PubChem CID161084294
Molecular FormulaC78H70N18O11
Molecular Weight1435.53 g/mol
Exact Mass1434.55
IUPAC Name3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
SMILESCCNC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.CCOC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.COc1ccc(CNC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Oc4ccccc4)c3)c2c1
InChIInChI=1S/C23H21N5O3.C21H16N4O3.C17H17N5O2.C17H16N4O3/c1-31-18-8-5-14(6-9-18)13-25-23(30)26-17-4-2-3-15(11-17)21-19-12-16(22(24)29)7-10-20(19)27-28-21;22-20(26)14-9-10-18-17(12-14)19(25-24-18)13-5-4-6-15(11-13)23-21(27)28-16-7-2-1-3-8-16;1-2-19-17(24)20-12-5-3-4-10(8-12)15-13-9-11(16(18)23)6-7-14(13)21-22-15;1-2-24-17(23)19-12-5-3-4-10(8-12)15-13-9-11(16(18)22)6-7-14(13)20-21-15/h2-12H,13H2,1H3,(H2,24,29)(H,27,28)(H2,25,26,30);1-12H,(H2,22,26)(H,23,27)(H,24,25);3-9H,2H2,1H3,(H2,18,23)(H,21,22)(H2,19,20,24);3-9H,2H2,1H3,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyUGHOGRLCUZTIOC-UHFFFAOYSA-N
XLogP12.97
TPSA455.23 Ų
H-Bond Donors14
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001435.53
LogP ≤ 512.97
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1015

Analyze 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate?
The IUPAC name of 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate (CID 161084294) is 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate.
What is the SMILES notation for 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate?
The canonical SMILES for 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate is CCNC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.CCOC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.COc1ccc(CNC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Oc4ccccc4)c3)c2c1.
What is the InChIKey of 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate?
The InChIKey is UGHOGRLCUZTIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3.C21H16N4O3.C17H17N5O2.C17H16N4O3/c1-31-18-8-5-14(6-9-18)13-25-23(30)26-17-4-2-3-15(11-17)21-19-12-16(22(24)29)7-10-20(19)27-28-21;22-20(26)14-9-10-18-17(12-14)19(25-24-18)13-5-4-6-15(11-13)23-21(27)28-16-7-2-1-3-8-16;1-2-19-17(24)20-12-5-3-4-10(8-12)15-13-9-11(16(18)23)6-7-14(13)21-22-15;1-2-24-17(23)19-12-5-3-4-10(8-12)15-13-9-11(16(18)22)6-7-14(13)20-21-15/h2-12H,13H2,1H3,(H2,24,29)(H,27,28)(H2,25,26,30);1-12H,(H2,22,26)(H,23,27)(H,24,25);3-9H,2H2,1H3,(H2,18,23)(H,21,22)(H2,19,20,24);3-9H,2H2,1H3,(H2,18,22)(H,19,23)(H,20,21).
What are the key properties of 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate?
3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate has a molecular weight of 1435.53 g/mol, XLogP of 12.97, 18 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;ethyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-1H-indazole-5-carboxamide;phenyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate is sourced from PubChem (CID 161084294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).