5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C88H90N28O5 — CID 157468504

IUPAC5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCCOCC.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1
InChIInChI=1S/C23H23N7O.C22H21N7O.C21H21N7O.C18H15N7O.C4H10O/c1-15-25-12-18(13-26-15)27-23(31)22-20-10-16(5-6-21(20)28-29-22)17-9-19(14-24-11-17)30-7-3-2-4-8-30;1-14-24-11-17(12-25-14)26-22(30)21-19-9-15(4-5-20(19)27-28-21)16-8-18(13-23-10-16)29-6-2-3-7-29;1-13-23-10-17(11-24-13)25-21(29)20-18-7-15(4-5-19(18)26-27-20)16-6-14(8-22-9-16)12-28(2)3;1-10-21-8-14(9-22-10)23-18(26)17-15-5-11(2-3-16(15)24-25-17)12-4-13(19)7-20-6-12;1-3-5-4-2/h5-6,9-14H,2-4,7-8H2,1H3,(H,27,31)(H,28,29);4-5,8-13H,2-3,6-7H2,1H3,(H,26,30)(H,27,28);4-11H,12H2,1-3H3,(H,25,29)(H,26,27);2-9H,19H2,1H3,(H,23,26)(H,24,25);3-4H2,1-2H3
InChIKeyBUTDNJZEZSJPSO-UHFFFAOYSA-N
MW1619.88 g/mol
LogP14.18
Rot. Bonds18

About 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 157468504) has the molecular formula C88H90N28O5 and a molecular weight of 1619.88 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID157468504
Molecular FormulaC88H90N28O5
Molecular Weight1619.88 g/mol
Exact Mass1618.76
IUPAC Name5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCCOCC.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1
InChIInChI=1S/C23H23N7O.C22H21N7O.C21H21N7O.C18H15N7O.C4H10O/c1-15-25-12-18(13-26-15)27-23(31)22-20-10-16(5-6-21(20)28-29-22)17-9-19(14-24-11-17)30-7-3-2-4-8-30;1-14-24-11-17(12-25-14)26-22(30)21-19-9-15(4-5-20(19)27-28-21)16-8-18(13-23-10-16)29-6-2-3-7-29;1-13-23-10-17(11-24-13)25-21(29)20-18-7-15(4-5-19(18)26-27-20)16-6-14(8-22-9-16)12-28(2)3;1-10-21-8-14(9-22-10)23-18(26)17-15-5-11(2-3-16(15)24-25-17)12-4-13(19)7-20-6-12;1-3-5-4-2/h5-6,9-14H,2-4,7-8H2,1H3,(H,27,31)(H,28,29);4-5,8-13H,2-3,6-7H2,1H3,(H,26,30)(H,27,28);4-11H,12H2,1-3H3,(H,25,29)(H,26,27);2-9H,19H2,1H3,(H,23,26)(H,24,25);3-4H2,1-2H3
InChIKeyBUTDNJZEZSJPSO-UHFFFAOYSA-N
XLogP14.18
TPSA430.77 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms121
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001619.88
LogP ≤ 514.18
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 157468504) is 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is CCOCC.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is BUTDNJZEZSJPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O.C22H21N7O.C21H21N7O.C18H15N7O.C4H10O/c1-15-25-12-18(13-26-15)27-23(31)22-20-10-16(5-6-21(20)28-29-22)17-9-19(14-24-11-17)30-7-3-2-4-8-30;1-14-24-11-17(12-25-14)26-22(30)21-19-9-15(4-5-20(19)27-28-21)16-8-18(13-23-10-16)29-6-2-3-7-29;1-13-23-10-17(11-24-13)25-21(29)20-18-7-15(4-5-19(18)26-27-20)16-6-14(8-22-9-16)12-28(2)3;1-10-21-8-14(9-22-10)23-18(26)17-15-5-11(2-3-16(15)24-25-17)12-4-13(19)7-20-6-12;1-3-5-4-2/h5-6,9-14H,2-4,7-8H2,1H3,(H,27,31)(H,28,29);4-5,8-13H,2-3,6-7H2,1H3,(H,26,30)(H,27,28);4-11H,12H2,1-3H3,(H,25,29)(H,26,27);2-9H,19H2,1H3,(H,23,26)(H,24,25);3-4H2,1-2H3.
What are the key properties of 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 1619.88 g/mol, XLogP of 14.18, 18 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethoxyethane;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 157468504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).