2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride

C19H21Cl3N6O2 — CID 166630457

IUPAC2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride
SMILESCl.Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)CN)CC4)n1
InChIInChI=1S/C19H20Cl2N6O2.ClH/c1-26-4-2-14(25-26)10-6-12(20)18(21)19-17(10)11-9-27(5-3-13(11)24-19)16(29)8-23-15(28)7-22;/h2,4,6,24H,3,5,7-9,22H2,1H3,(H,23,28);1H
InChIKeyOWABEHZWTALJGH-UHFFFAOYSA-N
MW471.78 g/mol
LogP2.26
Rot. Bonds4

About 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride

2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride (PubChem CID 166630457) has the molecular formula C19H21Cl3N6O2 and a molecular weight of 471.78 g/mol. Its IUPAC name is 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride
PubChem CID166630457
Molecular FormulaC19H21Cl3N6O2
Molecular Weight471.78 g/mol
Exact Mass470.08
IUPAC Name2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride
SMILESCl.Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)CN)CC4)n1
InChIInChI=1S/C19H20Cl2N6O2.ClH/c1-26-4-2-14(25-26)10-6-12(20)18(21)19-17(10)11-9-27(5-3-13(11)24-19)16(29)8-23-15(28)7-22;/h2,4,6,24H,3,5,7-9,22H2,1H3,(H,23,28);1H
InChIKeyOWABEHZWTALJGH-UHFFFAOYSA-N
XLogP2.26
TPSA109.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.78
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride (CID 166630457) is 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride is Cl.Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)CN)CC4)n1.
What is the InChIKey of 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride?
The InChIKey is OWABEHZWTALJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O2.ClH/c1-26-4-2-14(25-26)10-6-12(20)18(21)19-17(10)11-9-27(5-3-13(11)24-19)16(29)8-23-15(28)7-22;/h2,4,6,24H,3,5,7-9,22H2,1H3,(H,23,28);1H.
What are the key properties of 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride?
2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride has a molecular weight of 471.78 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide;hydrochloride is sourced from PubChem (CID 166630457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).