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

C20H18Cl2N6O — CID 170426577

IUPAC1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H18Cl2N6O/c21-15-2-1-14-18(13-9-24-25-10-13)16-11-27(7-8-28(16)20(14)19(15)22)17(29)3-5-26-6-4-23-12-26/h1-2,4,6,9-10,12H,3,5,7-8,11H2,(H,24,25)
InChIKeyHGBKRAWKRHXCFO-UHFFFAOYSA-N
MW429.31 g/mol
LogP3.97
Rot. Bonds4

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

1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 170426577) has the molecular formula C20H18Cl2N6O and a molecular weight of 429.31 g/mol. Its IUPAC name is 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID170426577
Molecular FormulaC20H18Cl2N6O
Molecular Weight429.31 g/mol
Exact Mass428.09
IUPAC Name1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H18Cl2N6O/c21-15-2-1-14-18(13-9-24-25-10-13)16-11-27(7-8-28(16)20(14)19(15)22)17(29)3-5-26-6-4-23-12-26/h1-2,4,6,9-10,12H,3,5,7-8,11H2,(H,24,25)
InChIKeyHGBKRAWKRHXCFO-UHFFFAOYSA-N
XLogP3.97
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one (CID 170426577) is 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1.
What is the InChIKey of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is HGBKRAWKRHXCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N6O/c21-15-2-1-14-18(13-9-24-25-10-13)16-11-27(7-8-28(16)20(14)19(15)22)17(29)3-5-26-6-4-23-12-26/h1-2,4,6,9-10,12H,3,5,7-8,11H2,(H,24,25).
What are the key properties of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one?
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 429.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 170426577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).