2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

C21H20Cl2N4O — CID 90614191

IUPAC2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl2N4O/c22-15-5-6-16(18(23)13-15)21(28)25-11-12-27-19-4-2-1-3-17(19)20(26-27)14-7-9-24-10-8-14/h5-10,13H,1-4,11-12H2,(H,25,28)
InChIKeyFHUKDPFXTDRBLX-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.56
Rot. Bonds5

About 2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (PubChem CID 90614191) has the molecular formula C21H20Cl2N4O and a molecular weight of 415.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
PubChem CID90614191
Molecular FormulaC21H20Cl2N4O
Molecular Weight415.32 g/mol
Exact Mass414.10
IUPAC Name2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl2N4O/c22-15-5-6-16(18(23)13-15)21(28)25-11-12-27-19-4-2-1-3-17(19)20(26-27)14-7-9-24-10-8-14/h5-10,13H,1-4,11-12H2,(H,25,28)
InChIKeyFHUKDPFXTDRBLX-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 90614186
2,4-dichloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613838
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide
CID 90614165
3-phenylsulfanyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 72718483
2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614470
5-chloro-2-nitro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614544
2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614149
1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90614405
1-(2-chlorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614316
3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90614163
2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614565
4-nitro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614309

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (CID 90614191) is 2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The InChIKey is FHUKDPFXTDRBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O/c22-15-5-6-16(18(23)13-15)21(28)25-11-12-27-19-4-2-1-3-17(19)20(26-27)14-7-9-24-10-8-14/h5-10,13H,1-4,11-12H2,(H,25,28).
What are the key properties of 2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide has a molecular weight of 415.32 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90614191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).