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

C25H25FN4O2 — CID 138572197

IUPACN-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)Cc2cccc(F)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C25H25FN4O2/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)
InChIKeyZHLZNEYXABXABG-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.15
Rot. Bonds5

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

N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138572197) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[4-[1-[2-(3-fluorophenyl)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-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138572197
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC NameN-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)Cc2cccc(F)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C25H25FN4O2/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)
InChIKeyZHLZNEYXABXABG-UHFFFAOYSA-N
XLogP4.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[1-[2-(3-fluorophenyl)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-fluorophenyl)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-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138572197) is N-[4-[1-[2-(3-fluorophenyl)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-fluorophenyl)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-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is CC1CN(C(=O)Cc2cccc(F)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12.
What is the InChIKey of N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is ZHLZNEYXABXABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/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-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[1-[2-(3-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 432.50 g/mol, XLogP of 4.15, 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-fluorophenyl)acetyl]-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138572197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).