N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide

C16H14Cl2N4O2 — CID 170426837

IUPACN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide
SMILESO=C(CO)NC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C16H14Cl2N4O2/c17-10-2-1-9-13(8-5-19-20-6-8)16-11(21-12(24)7-23)3-4-22(16)15(9)14(10)18/h1-2,5-6,11,23H,3-4,7H2,(H,19,20)(H,21,24)
InChIKeyCGHXAYPEMQKJMF-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.89
Rot. Bonds3

About N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide

N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide (PubChem CID 170426837) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide
PubChem CID170426837
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC NameN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide
SMILESO=C(CO)NC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C16H14Cl2N4O2/c17-10-2-1-9-13(8-5-19-20-6-8)16-11(21-12(24)7-23)3-4-22(16)15(9)14(10)18/h1-2,5-6,11,23H,3-4,7H2,(H,19,20)(H,21,24)
InChIKeyCGHXAYPEMQKJMF-UHFFFAOYSA-N
XLogP2.89
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
CID 138393371
cGAS inhibitor TDI007635
CID 139387817
1-(6,7-Dichloro-9-(1-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-2-hydroxyethanone
CID 139388865
US20230391786, Example 274
CID 170426644
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 263
CID 170427235
1-[6,7-dichloro-9-(1H-pyrazol-5-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
CID 139387870
US20230391786, Example 20
CID 170426488
US20230391786, Example 180
CID 170426516
US20230391786, Example 154
CID 170426540
US20230391786, Example 119
CID 170426620

Frequently Asked Questions

What is the IUPAC name of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide?
The IUPAC name of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide (CID 170426837) is N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide is O=C(CO)NC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12.
What is the InChIKey of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide?
The InChIKey is CGHXAYPEMQKJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c17-10-2-1-9-13(8-5-19-20-6-8)16-11(21-12(24)7-23)3-4-22(16)15(9)14(10)18/h1-2,5-6,11,23H,3-4,7H2,(H,19,20)(H,21,24).
What are the key properties of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide?
N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide has a molecular weight of 365.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 170426837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).