1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one

C19H29N5O2 — CID 72933915

IUPAC1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(N2CC[C@]3(O)CCN(CCN4CCCC4=O)C[C@@H]3C2)nn1
InChIInChI=1S/C19H29N5O2/c1-15-4-5-17(21-20-15)24-10-7-19(26)6-9-22(13-16(19)14-24)11-12-23-8-2-3-18(23)25/h4-5,16,26H,2-3,6-14H2,1H3/t16-,19-/m1/s1
InChIKeyIIIFMXLWRSYWCJ-VQIMIIECSA-N
MW359.47 g/mol
LogP0.67
Rot. Bonds4

About 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 72933915) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID72933915
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(N2CC[C@]3(O)CCN(CCN4CCCC4=O)C[C@@H]3C2)nn1
InChIInChI=1S/C19H29N5O2/c1-15-4-5-17(21-20-15)24-10-7-19(26)6-9-22(13-16(19)14-24)11-12-23-8-2-3-18(23)25/h4-5,16,26H,2-3,6-14H2,1H3/t16-,19-/m1/s1
InChIKeyIIIFMXLWRSYWCJ-VQIMIIECSA-N
XLogP0.67
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one (CID 72933915) is 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one is Cc1ccc(N2CC[C@]3(O)CCN(CCN4CCCC4=O)C[C@@H]3C2)nn1.
What is the InChIKey of 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is IIIFMXLWRSYWCJ-VQIMIIECSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-15-4-5-17(21-20-15)24-10-7-19(26)6-9-22(13-16(19)14-24)11-12-23-8-2-3-18(23)25/h4-5,16,26H,2-3,6-14H2,1H3/t16-,19-/m1/s1.
What are the key properties of 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4aR,8aR)-4a-hydroxy-7-(6-methylpyridazin-3-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 72933915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).