N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide

C101H112N24O4 — CID 158253058

IUPACN-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cc1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)c1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N(C)C)cc4)c3c2)c1
InChIInChI=1S/C27H30N6O.2C25H28N6O.C24H26N6O/c1-32(2)17-19-6-5-7-23(13-19)29-27(34)26-24-14-21(8-9-25(24)30-31-26)22-12-20(15-28-16-22)18-33-10-3-4-11-33;1-30(2)15-17-5-8-21(9-6-17)27-25(32)24-22-12-19(7-10-23(22)28-29-24)20-11-18(13-26-14-20)16-31(3)4;1-30(2)15-17-6-5-7-21(11-17)27-25(32)24-22-12-19(8-9-23(22)28-29-24)20-10-18(13-26-14-20)16-31(3)4;1-29(2)15-16-11-18(14-25-13-16)17-5-10-22-21(12-17)23(28-27-22)24(31)26-19-6-8-20(9-7-19)30(3)4/h5-9,12-16H,3-4,10-11,17-18H2,1-2H3,(H,29,34)(H,30,31);2*5-14H,15-16H2,1-4H3,(H,27,32)(H,28,29);5-14H,15H2,1-4H3,(H,26,31)(H,27,28)
InChIKeyGGYIGWCNKUIOBW-UHFFFAOYSA-N
MW1726.17 g/mol
LogP16.54
Rot. Bonds27

About N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide

N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide (PubChem CID 158253058) has the molecular formula C101H112N24O4 and a molecular weight of 1726.17 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide
PubChem CID158253058
Molecular FormulaC101H112N24O4
Molecular Weight1726.17 g/mol
Exact Mass1724.93
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cc1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)c1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N(C)C)cc4)c3c2)c1
InChIInChI=1S/C27H30N6O.2C25H28N6O.C24H26N6O/c1-32(2)17-19-6-5-7-23(13-19)29-27(34)26-24-14-21(8-9-25(24)30-31-26)22-12-20(15-28-16-22)18-33-10-3-4-11-33;1-30(2)15-17-5-8-21(9-6-17)27-25(32)24-22-12-19(7-10-23(22)28-29-24)20-11-18(13-26-14-20)16-31(3)4;1-30(2)15-17-6-5-7-21(11-17)27-25(32)24-22-12-19(8-9-23(22)28-29-24)20-10-18(13-26-14-20)16-31(3)4;1-29(2)15-16-11-18(14-25-13-16)17-5-10-22-21(12-17)23(28-27-22)24(31)26-19-6-8-20(9-7-19)30(3)4/h5-9,12-16H,3-4,10-11,17-18H2,1-2H3,(H,29,34)(H,30,31);2*5-14H,15-16H2,1-4H3,(H,27,32)(H,28,29);5-14H,15H2,1-4H3,(H,26,31)(H,27,28)
InChIKeyGGYIGWCNKUIOBW-UHFFFAOYSA-N
XLogP16.54
TPSA308.60 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms129
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001726.17
LogP ≤ 516.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide (CID 158253058) is N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide is CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cc1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)c1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N(C)C)cc4)c3c2)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is GGYIGWCNKUIOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O.2C25H28N6O.C24H26N6O/c1-32(2)17-19-6-5-7-23(13-19)29-27(34)26-24-14-21(8-9-25(24)30-31-26)22-12-20(15-28-16-22)18-33-10-3-4-11-33;1-30(2)15-17-5-8-21(9-6-17)27-25(32)24-22-12-19(7-10-23(22)28-29-24)20-11-18(13-26-14-20)16-31(3)4;1-30(2)15-17-6-5-7-21(11-17)27-25(32)24-22-12-19(8-9-23(22)28-29-24)20-10-18(13-26-14-20)16-31(3)4;1-29(2)15-16-11-18(14-25-13-16)17-5-10-22-21(12-17)23(28-27-22)24(31)26-19-6-8-20(9-7-19)30(3)4/h5-9,12-16H,3-4,10-11,17-18H2,1-2H3,(H,29,34)(H,30,31);2*5-14H,15-16H2,1-4H3,(H,27,32)(H,28,29);5-14H,15H2,1-4H3,(H,26,31)(H,27,28).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide?
N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 1726.17 g/mol, XLogP of 16.54, 27 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 158253058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).