(4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C15H19ClN4O2 — CID 98891047

IUPAC(4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESO=C1CC[C@H]2CN(c3cn[nH]c(=O)c3Cl)CC[C@@H]2N1C1CC1
InChIInChI=1S/C15H19ClN4O2/c16-14-12(7-17-18-15(14)22)19-6-5-11-9(8-19)1-4-13(21)20(11)10-2-3-10/h7,9-11H,1-6,8H2,(H,18,22)/t9-,11-/m0/s1
InChIKeyBHDLAYHCMDZGIN-ONGXEEELSA-N
MW322.80 g/mol
LogP1.40
Rot. Bonds2

About (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

(4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 98891047) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID98891047
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name(4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESO=C1CC[C@H]2CN(c3cn[nH]c(=O)c3Cl)CC[C@@H]2N1C1CC1
InChIInChI=1S/C15H19ClN4O2/c16-14-12(7-17-18-15(14)22)19-6-5-11-9(8-19)1-4-13(21)20(11)10-2-3-10/h7,9-11H,1-6,8H2,(H,18,22)/t9-,11-/m0/s1
InChIKeyBHDLAYHCMDZGIN-ONGXEEELSA-N
XLogP1.40
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one
CID 80746634
5-(1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
CID 86782096
5-[(4aS,8aS)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]pyridine-2-carbonitrile
CID 99851194
5-chloro-4-(4-methylazepan-1-yl)-1H-pyridazin-6-one
CID 71935982
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
CID 47151514
4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 97067599
1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133461987
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] carbamate;methylcyclobutane
CID 156750105
tert-butyl N-[(3S)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
CID 133380878
5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
CID 138484365
5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
CID 138484051
[4-[[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]oxycarbonylamino]cyclohexyl]carbamic acid
CID 156534230

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 98891047) is (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is O=C1CC[C@H]2CN(c3cn[nH]c(=O)c3Cl)CC[C@@H]2N1C1CC1.
What is the InChIKey of (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is BHDLAYHCMDZGIN-ONGXEEELSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c16-14-12(7-17-18-15(14)22)19-6-5-11-9(8-19)1-4-13(21)20(11)10-2-3-10/h7,9-11H,1-6,8H2,(H,18,22)/t9-,11-/m0/s1.
What are the key properties of (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
(4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 322.80 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 98891047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).