N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate

C62H63N17O10S — CID 161218654

IUPACN-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate
SMILESCCn1cc2cc(C(=O)N[C@@H]3CCCN(c4cnc(C(N)=O)c(Nc5cc(C)ns5)n4)C3)ccc2n1.CCn1cc2cc(C(=O)O)ccc2n1.CCn1cc2cc(C(=O)OC)ccc2n1.COC(=O)c1ccc2[nH]ncc2c1.O=C(O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C24H27N9O2S.C11H12N2O2.C10H10N2O2.C9H8N2O2.C8H6N2O2/c1-3-33-12-16-10-15(6-7-18(16)30-33)24(35)27-17-5-4-8-32(13-17)19-11-26-21(22(25)34)23(28-19)29-20-9-14(2)31-36-20;1-3-13-7-9-6-8(11(14)15-2)4-5-10(9)12-13;1-2-12-6-8-5-7(10(13)14)3-4-9(8)11-12;1-13-9(12)6-2-3-8-7(4-6)5-10-11-8;11-8(12)5-1-2-7-6(3-5)4-9-10-7/h6-7,9-12,17H,3-5,8,13H2,1-2H3,(H2,25,34)(H,27,35)(H,28,29);4-7H,3H2,1-2H3;3-6H,2H2,1H3,(H,13,14);2-5H,1H3,(H,10,11);1-4H,(H,9,10)(H,11,12)/t17-;;;;/m1..../s1
InChIKeyUXFDDRYLQSZVBH-GIZSFIMASA-N
MW1238.36 g/mol
LogP9.06
Rot. Bonds13

About N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate

N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate (PubChem CID 161218654) has the molecular formula C62H63N17O10S and a molecular weight of 1238.36 g/mol. Its IUPAC name is N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate.

Molecular Properties

Compound NameN-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate
PubChem CID161218654
Molecular FormulaC62H63N17O10S
Molecular Weight1238.36 g/mol
Exact Mass1237.47
IUPAC NameN-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate
SMILESCCn1cc2cc(C(=O)N[C@@H]3CCCN(c4cnc(C(N)=O)c(Nc5cc(C)ns5)n4)C3)ccc2n1.CCn1cc2cc(C(=O)O)ccc2n1.CCn1cc2cc(C(=O)OC)ccc2n1.COC(=O)c1ccc2[nH]ncc2c1.O=C(O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C24H27N9O2S.C11H12N2O2.C10H10N2O2.C9H8N2O2.C8H6N2O2/c1-3-33-12-16-10-15(6-7-18(16)30-33)24(35)27-17-5-4-8-32(13-17)19-11-26-21(22(25)34)23(28-19)29-20-9-14(2)31-36-20;1-3-13-7-9-6-8(11(14)15-2)4-5-10(9)12-13;1-2-12-6-8-5-7(10(13)14)3-4-9(8)11-12;1-13-9(12)6-2-3-8-7(4-6)5-10-11-8;11-8(12)5-1-2-7-6(3-5)4-9-10-7/h6-7,9-12,17H,3-5,8,13H2,1-2H3,(H2,25,34)(H,27,35)(H,28,29);4-7H,3H2,1-2H3;3-6H,2H2,1H3,(H,13,14);2-5H,1H3,(H,10,11);1-4H,(H,9,10)(H,11,12)/t17-;;;;/m1..../s1
InChIKeyUXFDDRYLQSZVBH-GIZSFIMASA-N
XLogP9.06
TPSA364.15 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001238.36
LogP ≤ 59.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate with MolForge

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate
CID 158763031
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;[1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol;methyl 2-methyl-1H-indole-5-carboxylate
CID 158801104

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate?
The IUPAC name of N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate (CID 161218654) is N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate.
What is the SMILES notation for N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate?
The canonical SMILES for N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate is CCn1cc2cc(C(=O)N[C@@H]3CCCN(c4cnc(C(N)=O)c(Nc5cc(C)ns5)n4)C3)ccc2n1.CCn1cc2cc(C(=O)O)ccc2n1.CCn1cc2cc(C(=O)OC)ccc2n1.COC(=O)c1ccc2[nH]ncc2c1.O=C(O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate?
The InChIKey is UXFDDRYLQSZVBH-GIZSFIMASA-N. The full InChI is InChI=1S/C24H27N9O2S.C11H12N2O2.C10H10N2O2.C9H8N2O2.C8H6N2O2/c1-3-33-12-16-10-15(6-7-18(16)30-33)24(35)27-17-5-4-8-32(13-17)19-11-26-21(22(25)34)23(28-19)29-20-9-14(2)31-36-20;1-3-13-7-9-6-8(11(14)15-2)4-5-10(9)12-13;1-2-12-6-8-5-7(10(13)14)3-4-9(8)11-12;1-13-9(12)6-2-3-8-7(4-6)5-10-11-8;11-8(12)5-1-2-7-6(3-5)4-9-10-7/h6-7,9-12,17H,3-5,8,13H2,1-2H3,(H2,25,34)(H,27,35)(H,28,29);4-7H,3H2,1-2H3;3-6H,2H2,1H3,(H,13,14);2-5H,1H3,(H,10,11);1-4H,(H,9,10)(H,11,12)/t17-;;;;/m1..../s1.
What are the key properties of N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate?
N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate has a molecular weight of 1238.36 g/mol, XLogP of 9.06, 13 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-2-ethylindazole-5-carboxamide;2-ethylindazole-5-carboxylic acid;1H-indazole-5-carboxylic acid;methyl 2-ethylindazole-5-carboxylate;methyl 1H-indazole-5-carboxylate is sourced from PubChem (CID 161218654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).