N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide

C19H17Cl2N5O2 — CID 170426677

IUPACN-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide
SMILESCC(=O)NC1CCCn2c1c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c12
InChIInChI=1S/C19H17Cl2N5O2/c1-10(27)25-13-3-2-5-26-18(13)15(11-8-23-24-9-11)16-14(28-6-4-22)7-12(20)17(21)19(16)26/h7-9,13H,2-3,5-6H2,1H3,(H,23,24)(H,25,27)
InChIKeyJYJLYGONKDAQBX-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.21
Rot. Bonds4

About N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide

N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide (PubChem CID 170426677) has the molecular formula C19H17Cl2N5O2 and a molecular weight of 418.28 g/mol. Its IUPAC name is N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide.

Molecular Properties

Compound NameN-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide
PubChem CID170426677
Molecular FormulaC19H17Cl2N5O2
Molecular Weight418.28 g/mol
Exact Mass417.08
IUPAC NameN-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide
SMILESCC(=O)NC1CCCn2c1c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c12
InChIInChI=1S/C19H17Cl2N5O2/c1-10(27)25-13-3-2-5-26-18(13)15(11-8-23-24-9-11)16-14(28-6-4-22)7-12(20)17(21)19(16)26/h7-9,13H,2-3,5-6H2,1H3,(H,23,24)(H,25,27)
InChIKeyJYJLYGONKDAQBX-UHFFFAOYSA-N
XLogP4.21
TPSA95.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide?
The IUPAC name of N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide (CID 170426677) is N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide.
What is the SMILES notation for N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide?
The canonical SMILES for N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide is CC(=O)NC1CCCn2c1c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c12.
What is the InChIKey of N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide?
The InChIKey is JYJLYGONKDAQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2/c1-10(27)25-13-3-2-5-26-18(13)15(11-8-23-24-9-11)16-14(28-6-4-22)7-12(20)17(21)19(16)26/h7-9,13H,2-3,5-6H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide?
N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide has a molecular weight of 418.28 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetamide is sourced from PubChem (CID 170426677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).