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

C19H16Cl2N6O — CID 170427013

IUPAC1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C19H16Cl2N6O/c20-14-2-1-13-17(12-7-23-24-8-12)15-9-26(5-6-27(15)19(13)18(14)21)16(28)10-25-4-3-22-11-25/h1-4,7-8,11H,5-6,9-10H2,(H,23,24)
InChIKeySMXVGZJIEORISS-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.58
Rot. Bonds3

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

1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-imidazol-1-ylethanone (PubChem CID 170427013) has the molecular formula C19H16Cl2N6O and a molecular weight of 415.28 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]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-imidazol-1-ylethanone
PubChem CID170427013
Molecular FormulaC19H16Cl2N6O
Molecular Weight415.28 g/mol
Exact Mass414.08
IUPAC Name1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C19H16Cl2N6O/c20-14-2-1-13-17(12-7-23-24-8-12)15-9-26(5-6-27(15)19(13)18(14)21)16(28)10-25-4-3-22-11-25/h1-4,7-8,11H,5-6,9-10H2,(H,23,24)
InChIKeySMXVGZJIEORISS-UHFFFAOYSA-N
XLogP3.58
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ML300-based SC inhibitor 40
CID 156027236
(S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-3-(4-(5-(pyridin-4-yl)-1H-pyrazol-3-yl)piperidin-1-yl)propan-1-one
CID 53326533
7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide
CID 72188189
US20230391786, Example 325
CID 170795270
(6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)(5-((2-(dimethylamino)ethyl)(methyl)amino)pyrimidin-2-yl)methanone
CID 169197011
(6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)(pyrimidin-2-yl)methanone
CID 169197054
(6,7-Dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(methylamino)pyrimidin-2-yl]methanone
CID 169197148
(5-aminopyrimidin-2-yl)(6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)methanone
CID 169197268
US11649255, Example 240
CID 164718370
US20230391786, Example 20
CID 170426488
US20230391786, Example 12
CID 170426549
US20230391786, Example 328
CID 170426577

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]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-imidazol-1-ylethanone (CID 170427013) is 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-imidazol-1-ylethanone.
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]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)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]-2-imidazol-1-ylethanone?
The InChIKey is SMXVGZJIEORISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6O/c20-14-2-1-13-17(12-7-23-24-8-12)15-9-26(5-6-27(15)19(13)18(14)21)16(28)10-25-4-3-22-11-25/h1-4,7-8,11H,5-6,9-10H2,(H,23,24).
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]-2-imidazol-1-ylethanone?
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-imidazol-1-ylethanone has a molecular weight of 415.28 g/mol, XLogP of 3.58, 3 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]-2-imidazol-1-ylethanone is sourced from PubChem (CID 170427013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).