[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone

C20H21Cl2N5O2 — CID 170427444

IUPAC[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone
SMILESCN1CCOCC1C(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H21Cl2N5O2/c1-25-6-7-29-11-16(25)20(28)26-4-5-27-15(10-26)17(12-8-23-24-9-12)13-2-3-14(21)18(22)19(13)27/h2-3,8-9,16H,4-7,10-11H2,1H3,(H,23,24)
InChIKeyZXNPFPQKMOLHGF-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.01
Rot. Bonds2

About [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone

[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone (PubChem CID 170427444) has the molecular formula C20H21Cl2N5O2 and a molecular weight of 434.33 g/mol. Its IUPAC name is [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone.

Molecular Properties

Compound Name[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone
PubChem CID170427444
Molecular FormulaC20H21Cl2N5O2
Molecular Weight434.33 g/mol
Exact Mass433.11
IUPAC Name[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone
SMILESCN1CCOCC1C(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H21Cl2N5O2/c1-25-6-7-29-11-16(25)20(28)26-4-5-27-15(10-26)17(12-8-23-24-9-12)13-2-3-14(21)18(22)19(13)27/h2-3,8-9,16H,4-7,10-11H2,1H3,(H,23,24)
InChIKeyZXNPFPQKMOLHGF-UHFFFAOYSA-N
XLogP3.01
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone?
The IUPAC name of [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone (CID 170427444) is [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone.
What is the SMILES notation for [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone?
The canonical SMILES for [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone is CN1CCOCC1C(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1.
What is the InChIKey of [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone?
The InChIKey is ZXNPFPQKMOLHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O2/c1-25-6-7-29-11-16(25)20(28)26-4-5-27-15(10-26)17(12-8-23-24-9-12)13-2-3-14(21)18(22)19(13)27/h2-3,8-9,16H,4-7,10-11H2,1H3,(H,23,24).
What are the key properties of [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone?
[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone has a molecular weight of 434.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone is sourced from PubChem (CID 170427444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).