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

C19H17Cl2N5O2 — CID 170427300

IUPACN-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide
SMILESCC(=O)NC1CCc2c(-c3cn[nH]c3)c3c(OCC#N)cc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C19H17Cl2N5O2/c1-10(27)25-12-2-3-14-16(11-7-23-24-8-11)17-15(28-5-4-22)6-13(20)18(21)19(17)26(14)9-12/h6-8,12H,2-3,5,9H2,1H3,(H,23,24)(H,25,27)
InChIKeyLUHLIDWUGRMRAV-UHFFFAOYSA-N
MW418.28 g/mol
LogP3.69
Rot. Bonds4

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

N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide (PubChem CID 170427300) 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-7-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-7-yl]acetamide
PubChem CID170427300
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-7-yl]acetamide
SMILESCC(=O)NC1CCc2c(-c3cn[nH]c3)c3c(OCC#N)cc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C19H17Cl2N5O2/c1-10(27)25-12-2-3-14-16(11-7-23-24-8-11)17-15(28-5-4-22)6-13(20)18(21)19(17)26(14)9-12/h6-8,12H,2-3,5,9H2,1H3,(H,23,24)(H,25,27)
InChIKeyLUHLIDWUGRMRAV-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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-7-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

Related Compounds

US20230391786, Example 183
CID 170426826
US20230391786, Example 126
CID 170426882
US20230391786, Example 184
CID 170426899
US20230391786, Example 100
CID 170426615
US20230391786, Example 348
CID 170426666
US20230391786, Example 207
CID 170426667
US20230391786, Example 113
CID 170426668
US20230391786, Example 202
CID 170426677
US20230391786, Example 340
CID 170426724
US20230391786, Example 338
CID 170426775
US20230391786, Example 288
CID 170426842
US20230391786, Example 142
CID 170426862

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-7-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-7-yl]acetamide (CID 170427300) is N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-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-7-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-7-yl]acetamide is CC(=O)NC1CCc2c(-c3cn[nH]c3)c3c(OCC#N)cc(Cl)c(Cl)c3n2C1.
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-7-yl]acetamide?
The InChIKey is LUHLIDWUGRMRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2/c1-10(27)25-12-2-3-14-16(11-7-23-24-8-11)17-15(28-5-4-22)6-13(20)18(21)19(17)26(14)9-12/h6-8,12H,2-3,5,9H2,1H3,(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-7-yl]acetamide?
N-[3,4-dichloro-1-(cyanomethoxy)-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide has a molecular weight of 418.28 g/mol, XLogP of 3.69, 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-7-yl]acetamide is sourced from PubChem (CID 170427300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).