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

C21H22Cl2N4O3 — CID 170426645

IUPACN-[7,8-dichloro-4-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide
SMILESO=C(CO)NC1CCn2c1c(-c1cnn(C3CCCCO3)c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C21H22Cl2N4O3/c22-14-5-4-13-18(12-9-24-27(10-12)17-3-1-2-8-30-17)21-15(25-16(29)11-28)6-7-26(21)20(13)19(14)23/h4-5,9-10,15,17,28H,1-3,6-8,11H2,(H,25,29)
InChIKeyITVCLRPBFCBJKD-UHFFFAOYSA-N
MW449.34 g/mol
LogP4.06
Rot. Bonds4

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

N-[7,8-dichloro-4-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide (PubChem CID 170426645) has the molecular formula C21H22Cl2N4O3 and a molecular weight of 449.34 g/mol. Its IUPAC name is N-[7,8-dichloro-4-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[7,8-dichloro-4-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide
PubChem CID170426645
Molecular FormulaC21H22Cl2N4O3
Molecular Weight449.34 g/mol
Exact Mass448.11
IUPAC NameN-[7,8-dichloro-4-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide
SMILESO=C(CO)NC1CCn2c1c(-c1cnn(C3CCCCO3)c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C21H22Cl2N4O3/c22-14-5-4-13-18(12-9-24-27(10-12)17-3-1-2-8-30-17)21-15(25-16(29)11-28)6-7-26(21)20(13)19(14)23/h4-5,9-10,15,17,28H,1-3,6-8,11H2,(H,25,29)
InChIKeyITVCLRPBFCBJKD-UHFFFAOYSA-N
XLogP4.06
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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 272
CID 170426886
1-[(3R)-6,7-dichloro-3-methyl-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 163227333
US20230391786, Example 20
CID 170426488
US20230391786, Example 180
CID 170426516
US20230391786, Example 154
CID 170426540
US20230391786, Example 148
CID 170426654
US20230391786, Example 240
CID 170426694
US20230391786, Example 168
CID 170426805
US20230391786, Example 47
CID 170426811

Frequently Asked Questions

What is the IUPAC name of N-[7,8-dichloro-4-[1-(oxan-2-yl)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-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide (CID 170426645) is N-[7,8-dichloro-4-[1-(oxan-2-yl)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-[1-(oxan-2-yl)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-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide is O=C(CO)NC1CCn2c1c(-c1cnn(C3CCCCO3)c1)c1ccc(Cl)c(Cl)c12.
What is the InChIKey of N-[7,8-dichloro-4-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide?
The InChIKey is ITVCLRPBFCBJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O3/c22-14-5-4-13-18(12-9-24-27(10-12)17-3-1-2-8-30-17)21-15(25-16(29)11-28)6-7-26(21)20(13)19(14)23/h4-5,9-10,15,17,28H,1-3,6-8,11H2,(H,25,29).
What are the key properties of N-[7,8-dichloro-4-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide?
N-[7,8-dichloro-4-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide has a molecular weight of 449.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,8-dichloro-4-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 170426645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).