N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide

C25H27N7O3 — CID 68820057

IUPACN-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
SMILESCNC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3nn(CCOC)cc3c2)ccn1
InChIInChI=1S/C25H27N7O3/c1-26-25(34)30-23-13-17(9-10-27-23)15-28-22-6-4-3-5-20(22)24(33)29-19-7-8-21-18(14-19)16-32(31-21)11-12-35-2/h3-10,13-14,16,28H,11-12,15H2,1-2H3,(H,29,33)(H2,26,27,30,34)
InChIKeyHHDPLEFMTBPGCO-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.69
Rot. Bonds9

About N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide

N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide (PubChem CID 68820057) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
PubChem CID68820057
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
SMILESCNC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3nn(CCOC)cc3c2)ccn1
InChIInChI=1S/C25H27N7O3/c1-26-25(34)30-23-13-17(9-10-27-23)15-28-22-6-4-3-5-20(22)24(33)29-19-7-8-21-18(14-19)16-32(31-21)11-12-35-2/h3-10,13-14,16,28H,11-12,15H2,1-2H3,(H,29,33)(H2,26,27,30,34)
InChIKeyHHDPLEFMTBPGCO-UHFFFAOYSA-N
XLogP3.69
TPSA122.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide
CID 23118972
[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate
CID 68886794
N-(2-methylindazol-6-yl)-2-(pyridin-4-ylmethylamino)benzamide
CID 141140513
N-(cyclopentylmethoxy)-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
CID 44553345
2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide
CID 11561691
N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide
CID 59848898
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[2-[(3-methoxyphenyl)carbamoylamino]-4-pyridinyl]methylamino]benzamide
CID 59848907
N-[2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 150263020
2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide
CID 68820475
2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 67052446
2-[2-[[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-2-pyridinyl]amino]-2-oxoethoxy]acetic acid
CID 69253027
N-[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 59848950

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide?
The IUPAC name of N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide (CID 68820057) is N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide?
The canonical SMILES for N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide is CNC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3nn(CCOC)cc3c2)ccn1.
What is the InChIKey of N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide?
The InChIKey is HHDPLEFMTBPGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-26-25(34)30-23-13-17(9-10-27-23)15-28-22-6-4-3-5-20(22)24(33)29-19-7-8-21-18(14-19)16-32(31-21)11-12-35-2/h3-10,13-14,16,28H,11-12,15H2,1-2H3,(H,29,33)(H2,26,27,30,34).
What are the key properties of N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide?
N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide has a molecular weight of 473.54 g/mol, XLogP of 3.69, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide is sourced from PubChem (CID 68820057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).