7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C26H30ClN5O3 — CID 58761846

IUPAC7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)N2CCn3c(c(C(N)=O)c(Cl)c3-c3ccccc3)C2)cc1
InChIInChI=1S/C26H30ClN5O3/c1-30(2)13-6-16-35-20-11-9-19(10-12-20)29-26(34)31-14-15-32-21(17-31)22(25(28)33)23(27)24(32)18-7-4-3-5-8-18/h3-5,7-12H,6,13-17H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyQFOWEUCNKCWPHX-UHFFFAOYSA-N
MW496.01 g/mol
LogP4.29
Rot. Bonds8

About 7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 58761846) has the molecular formula C26H30ClN5O3 and a molecular weight of 496.01 g/mol. Its IUPAC name is 7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID58761846
Molecular FormulaC26H30ClN5O3
Molecular Weight496.01 g/mol
Exact Mass495.20
IUPAC Name7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)N2CCn3c(c(C(N)=O)c(Cl)c3-c3ccccc3)C2)cc1
InChIInChI=1S/C26H30ClN5O3/c1-30(2)13-6-16-35-20-11-9-19(10-12-20)29-26(34)31-14-15-32-21(17-31)22(25(28)33)23(27)24(32)18-7-4-3-5-8-18/h3-5,7-12H,6,13-17H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyQFOWEUCNKCWPHX-UHFFFAOYSA-N
XLogP4.29
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.01
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2-N-(4-chlorophenyl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 58761841
7-chloro-2-[(4-methoxyphenyl)carbamothioyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide
CID 58988112
7-chloro-2-N-[3-(1,4-diazepane-1-carbonyl)phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 59982181
N-(4-chlorophenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134791783
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 89486338
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
N-(4-decoxyphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 3108313
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 86898690
7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 58761884
N-(4-butoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150142
6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 89486447

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 58761846) is 7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is CN(C)CCCOc1ccc(NC(=O)N2CCn3c(c(C(N)=O)c(Cl)c3-c3ccccc3)C2)cc1.
What is the InChIKey of 7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is QFOWEUCNKCWPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O3/c1-30(2)13-6-16-35-20-11-9-19(10-12-20)29-26(34)31-14-15-32-21(17-31)22(25(28)33)23(27)24(32)18-7-4-3-5-8-18/h3-5,7-12H,6,13-17H2,1-2H3,(H2,28,33)(H,29,34).
What are the key properties of 7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 496.01 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 58761846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).