1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone

C26H24F2N2O2 — CID 159694740

IUPAC1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone
SMILESCC1CN(C(=O)c2ccc(F)c(F)c2)CC=C1c1cc(CC(=O)C2CC2)nc2c1C=CC2
InChIInChI=1S/C26H24F2N2O2/c1-15-14-30(26(32)17-7-8-22(27)23(28)11-17)10-9-19(15)21-12-18(13-25(31)16-5-6-16)29-24-4-2-3-20(21)24/h2-3,7-9,11-12,15-16H,4-6,10,13-14H2,1H3
InChIKeyMWWCIGGZZXWTEP-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.63
Rot. Bonds5

About 1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone

1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone (PubChem CID 159694740) has the molecular formula C26H24F2N2O2 and a molecular weight of 434.49 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone
PubChem CID159694740
Molecular FormulaC26H24F2N2O2
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone
SMILESCC1CN(C(=O)c2ccc(F)c(F)c2)CC=C1c1cc(CC(=O)C2CC2)nc2c1C=CC2
InChIInChI=1S/C26H24F2N2O2/c1-15-14-30(26(32)17-7-8-22(27)23(28)11-17)10-9-19(15)21-12-18(13-25(31)16-5-6-16)29-24-4-2-3-20(21)24/h2-3,7-9,11-12,15-16H,4-6,10,13-14H2,1H3
InChIKeyMWWCIGGZZXWTEP-UHFFFAOYSA-N
XLogP4.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone (CID 159694740) is 1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone is CC1CN(C(=O)c2ccc(F)c(F)c2)CC=C1c1cc(CC(=O)C2CC2)nc2c1C=CC2.
What is the InChIKey of 1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone?
The InChIKey is MWWCIGGZZXWTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O2/c1-15-14-30(26(32)17-7-8-22(27)23(28)11-17)10-9-19(15)21-12-18(13-25(31)16-5-6-16)29-24-4-2-3-20(21)24/h2-3,7-9,11-12,15-16H,4-6,10,13-14H2,1H3.
What are the key properties of 1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone?
1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone has a molecular weight of 434.49 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone is sourced from PubChem (CID 159694740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).