N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea

C88H97N19O4 — CID 123720657

IUPACN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1n[nH]c2cc(-c3ccccc3C)ccc12.CCN1CCCC1CNC(=O)Nc1n[nH]c2cc(-c3ccc(C)c(C)c3)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)NCC4CC4)n[nH]c3c2)c1.Cc1ccc(C)c(N2CCN(C(=O)Nc3n[nH]c4cc(-c5cccc(C#N)c5)ccc34)CC2)c1
InChIInChI=1S/C27H26N6O.C23H29N5O.C20H22N4O.C18H20N4O/c1-18-6-7-19(2)25(14-18)32-10-12-33(13-11-32)27(34)29-26-23-9-8-22(16-24(23)30-31-26)21-5-3-4-20(15-21)17-28;1-4-28-11-5-6-19(28)14-24-23(29)25-22-20-10-9-18(13-21(20)26-27-22)17-8-7-15(2)16(3)12-17;1-12-7-13(2)9-16(8-12)15-5-6-17-18(10-15)23-24-19(17)22-20(25)21-11-14-3-4-14;1-3-10-19-18(23)20-17-15-9-8-13(11-16(15)21-22-17)14-7-5-4-6-12(14)2/h3-9,14-16H,10-13H2,1-2H3,(H2,29,30,31,34);7-10,12-13,19H,4-6,11,14H2,1-3H3,(H3,24,25,26,27,29);5-10,14H,3-4,11H2,1-2H3,(H3,21,22,23,24,25);4-9,11H,3,10H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyKGQFYHCDUNFFGD-UHFFFAOYSA-N
MW1484.87 g/mol
LogP17.97
Rot. Bonds16

About N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea

N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea (PubChem CID 123720657) has the molecular formula C88H97N19O4 and a molecular weight of 1484.87 g/mol. Its IUPAC name is N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea.

Molecular Properties

Compound NameN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea
PubChem CID123720657
Molecular FormulaC88H97N19O4
Molecular Weight1484.87 g/mol
Exact Mass1483.80
IUPAC NameN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1n[nH]c2cc(-c3ccccc3C)ccc12.CCN1CCCC1CNC(=O)Nc1n[nH]c2cc(-c3ccc(C)c(C)c3)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)NCC4CC4)n[nH]c3c2)c1.Cc1ccc(C)c(N2CCN(C(=O)Nc3n[nH]c4cc(-c5cccc(C#N)c5)ccc34)CC2)c1
InChIInChI=1S/C27H26N6O.C23H29N5O.C20H22N4O.C18H20N4O/c1-18-6-7-19(2)25(14-18)32-10-12-33(13-11-32)27(34)29-26-23-9-8-22(16-24(23)30-31-26)21-5-3-4-20(15-21)17-28;1-4-28-11-5-6-19(28)14-24-23(29)25-22-20-10-9-18(13-21(20)26-27-22)17-8-7-15(2)16(3)12-17;1-12-7-13(2)9-16(8-12)15-5-6-17-18(10-15)23-24-19(17)22-20(25)21-11-14-3-4-14;1-3-10-19-18(23)20-17-15-9-8-13(11-16(15)21-22-17)14-7-5-4-6-12(14)2/h3-9,14-16H,10-13H2,1-2H3,(H2,29,30,31,34);7-10,12-13,19H,4-6,11,14H2,1-3H3,(H3,24,25,26,27,29);5-10,14H,3-4,11H2,1-2H3,(H3,21,22,23,24,25);4-9,11H,3,10H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyKGQFYHCDUNFFGD-UHFFFAOYSA-N
XLogP17.97
TPSA300.72 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001484.87
LogP ≤ 517.97
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea with MolForge

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Related Compounds

N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 50943508
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 58135490
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methylpiperazine-1-carboxamide
CID 70795330
1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(3-propan-2-yloxypropyl)urea;1-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-(3-ethoxypropyl)urea;1-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea;N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
CID 157181977
1-[3-(dimethylamino)propyl]-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 157276200
4-benzyl-N-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide;N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide;1-[6-(3-cyanophenyl)-1H-indazol-3-yl]-3-(2-methylpropyl)urea;1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea
CID 159164147

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea?
The IUPAC name of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea (CID 123720657) is N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea.
What is the SMILES notation for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea?
The canonical SMILES for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea is CCCNC(=O)Nc1n[nH]c2cc(-c3ccccc3C)ccc12.CCN1CCCC1CNC(=O)Nc1n[nH]c2cc(-c3ccc(C)c(C)c3)ccc12.Cc1cc(C)cc(-c2ccc3c(NC(=O)NCC4CC4)n[nH]c3c2)c1.Cc1ccc(C)c(N2CCN(C(=O)Nc3n[nH]c4cc(-c5cccc(C#N)c5)ccc34)CC2)c1.
What is the InChIKey of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea?
The InChIKey is KGQFYHCDUNFFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O.C23H29N5O.C20H22N4O.C18H20N4O/c1-18-6-7-19(2)25(14-18)32-10-12-33(13-11-32)27(34)29-26-23-9-8-22(16-24(23)30-31-26)21-5-3-4-20(15-21)17-28;1-4-28-11-5-6-19(28)14-24-23(29)25-22-20-10-9-18(13-21(20)26-27-22)17-8-7-15(2)16(3)12-17;1-12-7-13(2)9-16(8-12)15-5-6-17-18(10-15)23-24-19(17)22-20(25)21-11-14-3-4-14;1-3-10-19-18(23)20-17-15-9-8-13(11-16(15)21-22-17)14-7-5-4-6-12(14)2/h3-9,14-16H,10-13H2,1-2H3,(H2,29,30,31,34);7-10,12-13,19H,4-6,11,14H2,1-3H3,(H3,24,25,26,27,29);5-10,14H,3-4,11H2,1-2H3,(H3,21,22,23,24,25);4-9,11H,3,10H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea?
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea has a molecular weight of 1484.87 g/mol, XLogP of 17.97, 16 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-(2,5-dimethylphenyl)piperazine-1-carboxamide;1-(cyclopropylmethyl)-3-[6-(3,5-dimethylphenyl)-1H-indazol-3-yl]urea;1-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-3-[(1-ethylpyrrolidin-2-yl)methyl]urea;1-[6-(2-methylphenyl)-1H-indazol-3-yl]-3-propylurea is sourced from PubChem (CID 123720657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).