1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C22H24N6O — CID 90289610

IUPAC1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)CC1
InChIInChI=1S/C22H24N6O/c1-14(2)17-11-22(27-24-13-17)26-21-5-4-19-20(25-21)10-18(12-23-19)16-6-8-28(9-7-16)15(3)29/h4-6,10-14H,7-9H2,1-3H3,(H,25,26,27)
InChIKeyZVRVMILDPUEDRW-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.92
Rot. Bonds4

About 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 90289610) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID90289610
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)CC1
InChIInChI=1S/C22H24N6O/c1-14(2)17-11-22(27-24-13-17)26-21-5-4-19-20(25-21)10-18(12-23-19)16-6-8-28(9-7-16)15(3)29/h4-6,10-14H,7-9H2,1-3H3,(H,25,26,27)
InChIKeyZVRVMILDPUEDRW-UHFFFAOYSA-N
XLogP3.92
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 90289610) is 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)CC1.
What is the InChIKey of 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is ZVRVMILDPUEDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14(2)17-11-22(27-24-13-17)26-21-5-4-19-20(25-21)10-18(12-23-19)16-6-8-28(9-7-16)15(3)29/h4-6,10-14H,7-9H2,1-3H3,(H,25,26,27).
What are the key properties of 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 388.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 90289610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).