2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide

C85H71N21O3 — CID 160606980

IUPAC2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/2C29H25N7O.C27H21N7O/c1-29(2,3)28(37)32-20-13-19(15-31-16-20)18-7-8-23-22(14-18)26(36-35-23)27-33-24-6-4-5-21(25(24)34-27)17-9-11-30-12-10-17;1-17(2)12-26(37)32-21-13-20(15-31-16-21)19-6-7-24-23(14-19)28(36-35-24)29-33-25-5-3-4-22(27(25)34-29)18-8-10-30-11-9-18;1-2-24(35)30-19-12-18(14-29-15-19)17-6-7-22-21(13-17)26(34-33-22)27-31-23-5-3-4-20(25(23)32-27)16-8-10-28-11-9-16/h4-16H,1-3H3,(H,32,37)(H,33,34)(H,35,36);3-11,13-17H,12H2,1-2H3,(H,32,37)(H,33,34)(H,35,36);3-15H,2H2,1H3,(H,30,35)(H,31,32)(H,33,34)
InChIKeyREZPTZILGFIQMM-UHFFFAOYSA-N
MW1434.65 g/mol
LogP18.01
Rot. Bonds15

About 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide

2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 160606980) has the molecular formula C85H71N21O3 and a molecular weight of 1434.65 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
PubChem CID160606980
Molecular FormulaC85H71N21O3
Molecular Weight1434.65 g/mol
Exact Mass1433.60
IUPAC Name2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/2C29H25N7O.C27H21N7O/c1-29(2,3)28(37)32-20-13-19(15-31-16-20)18-7-8-23-22(14-18)26(36-35-23)27-33-24-6-4-5-21(25(24)34-27)17-9-11-30-12-10-17;1-17(2)12-26(37)32-21-13-20(15-31-16-21)19-6-7-24-23(14-19)28(36-35-24)29-33-25-5-3-4-22(27(25)34-29)18-8-10-30-11-9-18;1-2-24(35)30-19-12-18(14-29-15-19)17-6-7-22-21(13-17)26(34-33-22)27-31-23-5-3-4-20(25(23)32-27)16-8-10-28-11-9-16/h4-16H,1-3H3,(H,32,37)(H,33,34)(H,35,36);3-11,13-17H,12H2,1-2H3,(H,32,37)(H,33,34)(H,35,36);3-15H,2H2,1H3,(H,30,35)(H,31,32)(H,33,34)
InChIKeyREZPTZILGFIQMM-UHFFFAOYSA-N
XLogP18.01
TPSA336.72 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001434.65
LogP ≤ 518.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide with MolForge

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Related Compounds

N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136509495
3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137109550
3,3-dimethyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2,2-dimethyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 159285669
2,2-dimethyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136643278
3-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 135987322
N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137019439
3-methyl-N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136643287
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 135987310
3,3-dimethyl-N-[5-[3-(6-methyl-4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 144667689
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136643234
N-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136509566
3-methyl-N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 158581235

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 160606980) is 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The InChIKey is REZPTZILGFIQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H25N7O.C27H21N7O/c1-29(2,3)28(37)32-20-13-19(15-31-16-20)18-7-8-23-22(14-18)26(36-35-23)27-33-24-6-4-5-21(25(24)34-27)17-9-11-30-12-10-17;1-17(2)12-26(37)32-21-13-20(15-31-16-21)19-6-7-24-23(14-19)28(36-35-24)29-33-25-5-3-4-22(27(25)34-29)18-8-10-30-11-9-18;1-2-24(35)30-19-12-18(14-29-15-19)17-6-7-22-21(13-17)26(34-33-22)27-31-23-5-3-4-20(25(23)32-27)16-8-10-28-11-9-16/h4-16H,1-3H3,(H,32,37)(H,33,34)(H,35,36);3-11,13-17H,12H2,1-2H3,(H,32,37)(H,33,34)(H,35,36);3-15H,2H2,1H3,(H,30,35)(H,31,32)(H,33,34).
What are the key properties of 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 1434.65 g/mol, XLogP of 18.01, 15 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 160606980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).