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

C18H18Cl2N4O2 — CID 170426694

IUPACN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C18H18Cl2N4O2/c1-26-7-5-14(25)23-13-4-6-24-17-11(2-3-12(19)16(17)20)15(18(13)24)10-8-21-22-9-10/h2-3,8-9,13H,4-7H2,1H3,(H,21,22)(H,23,25)
InChIKeyBBRJEZMXGHRJSB-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.94
Rot. Bonds5

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

N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-3-methoxypropanamide (PubChem CID 170426694) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 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]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-3-methoxypropanamide
PubChem CID170426694
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC NameN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C18H18Cl2N4O2/c1-26-7-5-14(25)23-13-4-6-24-17-11(2-3-12(19)16(17)20)15(18(13)24)10-8-21-22-9-10/h2-3,8-9,13H,4-7H2,1H3,(H,21,22)(H,23,25)
InChIKeyBBRJEZMXGHRJSB-UHFFFAOYSA-N
XLogP3.94
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

US20230391786, Example 274
CID 170426644
US20230391786, Example 256
CID 170426856
US20230391786, Example 275
CID 170427041
US20230391786, Example 263
CID 170427235
2-Amino-1-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]ethanone
CID 166627122
2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide
CID 166627819
US20230391786, Example 20
CID 170426488
US20230391786, Example 180
CID 170426516
US20230391786, Example 154
CID 170426540
US20230391786, Example 119
CID 170426620
US20230391786, Example 81
CID 170426632
US20230391786, Example 148
CID 170426654

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]-3-methoxypropanamide?
The IUPAC name of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-3-methoxypropanamide (CID 170426694) is N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-3-methoxypropanamide.
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]-3-methoxypropanamide?
The canonical SMILES for N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-3-methoxypropanamide is COCCC(=O)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]-3-methoxypropanamide?
The InChIKey is BBRJEZMXGHRJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-26-7-5-14(25)23-13-4-6-24-17-11(2-3-12(19)16(17)20)15(18(13)24)10-8-21-22-9-10/h2-3,8-9,13H,4-7H2,1H3,(H,21,22)(H,23,25).
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]-3-methoxypropanamide?
N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-3-methoxypropanamide has a molecular weight of 393.27 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 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]-3-methoxypropanamide is sourced from PubChem (CID 170426694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).