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

C17H20Cl2N4O — CID 170795225

IUPACN-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
SMILESCC(=O)NC1CCCn2c1c(C1CNNC1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C17H20Cl2N4O/c1-9(24)22-13-3-2-6-23-16-11(4-5-12(18)15(16)19)14(17(13)23)10-7-20-21-8-10/h4-5,10,13,20-21H,2-3,6-8H2,1H3,(H,22,24)
InChIKeyDGIHPPZHYMSOGJ-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.11
Rot. Bonds2

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

N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide (PubChem CID 170795225) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
PubChem CID170795225
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC NameN-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
SMILESCC(=O)NC1CCCn2c1c(C1CNNC1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C17H20Cl2N4O/c1-9(24)22-13-3-2-6-23-16-11(4-5-12(18)15(16)19)14(17(13)23)10-7-20-21-8-10/h4-5,10,13,20-21H,2-3,6-8H2,1H3,(H,22,24)
InChIKeyDGIHPPZHYMSOGJ-UHFFFAOYSA-N
XLogP3.11
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 170426879
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CID 170427044
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CID 170427091

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
The IUPAC name of N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide (CID 170795225) is N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide.
What is the SMILES notation for N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
The canonical SMILES for N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide is CC(=O)NC1CCCn2c1c(C1CNNC1)c1ccc(Cl)c(Cl)c12.
What is the InChIKey of N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
The InChIKey is DGIHPPZHYMSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-9(24)22-13-3-2-6-23-16-11(4-5-12(18)15(16)19)14(17(13)23)10-7-20-21-8-10/h4-5,10,13,20-21H,2-3,6-8H2,1H3,(H,22,24).
What are the key properties of N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide has a molecular weight of 367.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-10-pyrazolidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide is sourced from PubChem (CID 170795225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).