N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C25H25BrN4O2 — CID 138560928

IUPACN-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)Cc2cccc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C25H25BrN4O2/c1-15-14-30(23(31)12-16-3-2-4-18(26)11-16)10-8-19(15)21-13-22(29-25(32)17-5-6-17)28-24-20(21)7-9-27-24/h2-4,7-9,11,13,15,17H,5-6,10,12,14H2,1H3,(H2,27,28,29,32)
InChIKeyXOQFSXWFERZBMD-UHFFFAOYSA-N
MW493.41 g/mol
LogP4.78
Rot. Bonds5

About N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560928) has the molecular formula C25H25BrN4O2 and a molecular weight of 493.41 g/mol. Its IUPAC name is N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560928
Molecular FormulaC25H25BrN4O2
Molecular Weight493.41 g/mol
Exact Mass492.12
IUPAC NameN-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)Cc2cccc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C25H25BrN4O2/c1-15-14-30(23(31)12-16-3-2-4-18(26)11-16)10-8-19(15)21-13-22(29-25(32)17-5-6-17)28-24-20(21)7-9-27-24/h2-4,7-9,11,13,15,17H,5-6,10,12,14H2,1H3,(H2,27,28,29,32)
InChIKeyXOQFSXWFERZBMD-UHFFFAOYSA-N
XLogP4.78
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560928) is N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is CC1CN(C(=O)Cc2cccc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12.
What is the InChIKey of N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is XOQFSXWFERZBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN4O2/c1-15-14-30(23(31)12-16-3-2-4-18(26)11-16)10-8-19(15)21-13-22(29-25(32)17-5-6-17)28-24-20(21)7-9-27-24/h2-4,7-9,11,13,15,17H,5-6,10,12,14H2,1H3,(H2,27,28,29,32).
What are the key properties of N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 493.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(3-bromophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).