N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide

C24H21ClN4O — CID 159800514

IUPACN-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCc1cc(C2=NCc3cc(CC(=O)NC4(c5ccc(Cl)cc5)CC4)ncc32)ccn1
InChIInChI=1S/C24H21ClN4O/c1-15-10-16(6-9-26-15)23-21-14-27-20(11-17(21)13-28-23)12-22(30)29-24(7-8-24)18-2-4-19(25)5-3-18/h2-6,9-11,14H,7-8,12-13H2,1H3,(H,29,30)
InChIKeyNJSNUDUEVMUOIA-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.14
Rot. Bonds5

About N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide

N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (PubChem CID 159800514) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
PubChem CID159800514
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCc1cc(C2=NCc3cc(CC(=O)NC4(c5ccc(Cl)cc5)CC4)ncc32)ccn1
InChIInChI=1S/C24H21ClN4O/c1-15-10-16(6-9-26-15)23-21-14-27-20(11-17(21)13-28-23)12-22(30)29-24(7-8-24)18-2-4-19(25)5-3-18/h2-6,9-11,14H,7-8,12-13H2,1H3,(H,29,30)
InChIKeyNJSNUDUEVMUOIA-UHFFFAOYSA-N
XLogP4.14
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (CID 159800514) is N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is Cc1cc(C2=NCc3cc(CC(=O)NC4(c5ccc(Cl)cc5)CC4)ncc32)ccn1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The InChIKey is NJSNUDUEVMUOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c1-15-10-16(6-9-26-15)23-21-14-27-20(11-17(21)13-28-23)12-22(30)29-24(7-8-24)18-2-4-19(25)5-3-18/h2-6,9-11,14H,7-8,12-13H2,1H3,(H,29,30).
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide has a molecular weight of 416.91 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 159800514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).